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CAS 1055049-80-3 tert-butyl (2-oxopiperidin-4-yl)carbaMate molecular structure lightbox
CAS RN: 1055049-80-3

tert-butyl (2-oxopiperidin-4-yl)carbaMate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260618 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-007226
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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: ＞97%
  • 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 1055049-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1055049-80-3 / tert-butyl N-[(4S)-2-oxopiperidin-4-yl]carbamate

tert-butyl N-(2-oxopiperidin-4-yl)carbamate | RefChem:895774 | 101-084-2

Standard CAS: 1055049-80-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1055049-80-3
Multi CAS
Yes
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CC(C)(C)OC(=O)N[C@H]1CCNC(=O)C1
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-8(13)6-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKey
CDWJRRPTGQQFDP-ZETCQYMHSA-N
Synonyms
tert-butyl N-(2-oxopiperidin-4-yl)carbamate RefChem:895774 101-084-2 tert-Butyl (2-oxopiperidin-4-yl)carbamate (2-Oxo-piperidin-4-yl)-carbamic acid tert-butyl ester

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.4
TPSA
67.43

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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