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CAS 188527-08-4 N-Benzyl 1-BOC-piperidine-4-carboxaMide molecular structure lightbox
CAS RN: 188527-08-4

N-Benzyl 1-BOC-piperidine-4-carboxaMide

  • Product code: SSC-087746
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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 188527-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

188527-08-4 / tert-butyl 4-(benzylcarbamoyl)piperidine-1-carboxylate

Standard CAS: 188527-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188527-08-4
Multi CAS
No
Molecular Formula
C18H26N2O3
Molecular Weight
318.400000
Exact Mass
318.194343
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-11-9-15(10-12-20)16(21)19-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)
InChIKey
AGQWIWVWFLIEKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.82
TPSA
58.64

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-2.57

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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