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CAS 183683-28-5 AcetaMide, N-[2-[(4-chlorophenyl)Methyl]-4-piperidinyl]-, Monohydrochloride, trans- (9CI) molecular structure lightbox
CAS RN: 183683-28-5

AcetaMide, N-[2-[(4-chlorophenyl)Methyl]-4-piperidinyl]-, Monohydrochloride, trans- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS183683-28-5
  • Purity/Analytical Methods: >99.0%
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183683-28-5 / N-[2-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide;hydrochloride

Standard CAS: 183683-28-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183683-28-5
Multi CAS
No
Molecular Formula
C14H20Cl2N2O
Molecular Weight
303.200000
Exact Mass
302.095269
SMILES
CC(=O)NC1CCNC(C1)CC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C14H19ClN2O.ClH/c1-10(18)17-13-6-7-16-14(9-13)8-11-2-4-12(15)5-3-11;/h2-5,13-14,16H,6-9H2,1H3,(H,17,18);1H
InChIKey
TUDNFEJMPVGEOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.03
TPSA
41.13

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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