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CAS 1168153-63-6 1,4-Piperidinedicarboxylic acid, 4-methyl-3-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester molecular structure lightbox
CAS RN: 1168153-63-6

1,4-Piperidinedicarboxylic acid, 4-methyl-3-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-016720
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1168153-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1168153-63-6 / 1-O-tert-butyl 4-O-ethyl 4-methyl-3-oxopiperidine-1,4-dicarboxylate

1-tert-Butyl 4-ethyl 4-methyl-3-oxopiperidine-1,4-dicarboxylate | MFCD18074441 | 1,4-PIPERIDINEDICARBOXYLIC ACID, 4-METHYL-3-OXO-, 1-(1,1-DIMETHYLETHYL) 4-ETHYL ESTER

Standard CAS: 1168153-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1168153-63-6
Multi CAS
No
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
SMILES
CCOC(=O)C1(CCN(CC1=O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C14H23NO5/c1-6-19-11(17)14(5)7-8-15(9-10(14)16)12(18)20-13(2,3)4/h6-9H2,1-5H3
InChIKey
HIKNVKBEOQDCEO-UHFFFAOYSA-N
Synonyms
1-tert-Butyl 4-ethyl 4-methyl-3-oxopiperidine-1,4-dicarboxylate MFCD18074441 1,4-PIPERIDINEDICARBOXYLIC ACID, 4-METHYL-3-OXO-, 1-(1,1-DIMETHYLETHYL) 4-ETHYL ESTER O1-TERT-BUTYL O4-ETHYL 4-METHYL-3-OXO-PIPERIDINE-1,4-DICARBOXYLATE 1-O-tert-butyl 4-O-ethyl 4-methyl-3-oxopiperidine-1,4-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
72.17
TPSA
72.91

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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