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CAS 429631-11-8 N-(2-CHLOROBENZYL)PIPERIDINE-4-CARBOXAMIDE molecular structure lightbox
CAS RN: 429631-11-8

N-(2-CHLOROBENZYL)PIPERIDINE-4-CARBOXAMIDE

  • Product code: SSC-151256
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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 429631-11-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

429631-11-8 / N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide

Standard CAS: 429631-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
429631-11-8
Multi CAS
No
Molecular Formula
C13H17CLN2O
Molecular Weight
252.740000
Exact Mass
252.102941
InChI
InChI=1S/C13H17ClN2O/c14-12-4-2-1-3-11(12)9-16-13(17)10-5-7-15-8-6-10/h1-4,10,15H,5-9H2,(H,16,17)
InChIKey
LKNLSFOVSWDIEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.89
TPSA
41.13

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.7
Consensus LogP
1.8
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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