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CAS 1262787-56-3 tert-butyl 1-benzoyl-4-methylpiperidin-4-ylcarbamate molecular structure lightbox
CAS RN: 1262787-56-3

tert-butyl 1-benzoyl-4-methylpiperidin-4-ylcarbamate

  • Product code: SSC-033244
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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: 0.25g
  • 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 1262787-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1262787-56-3 / tert-butyl N-(1-benzoyl-4-methylpiperidin-4-yl)carbamate

Standard CAS: 1262787-56-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262787-56-3
Multi CAS
No
Molecular Formula
C18H26N2O3
Molecular Weight
318.400000
Exact Mass
318.194343
SMILES
CC1(CCN(CC1)C(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H26N2O3/c1-17(2,3)23-16(22)19-18(4)10-12-20(13-11-18)15(21)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,19,22)
InChIKey
KYFSMUIWWZIGKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.35
TPSA
58.64

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
2.8
Consensus LogP
2.95
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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