CAS RN: 73415-85-7

N-PHENYLPIPERIDINE-4-CARBOXAMIDE

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  • Product code: starshine_CAS73415-85-7
  • Purity/Analytical Methods: >99.0%
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73415-85-7 / N-phenylpiperidine-4-carboxamide

Standard CAS: 73415-85-7 Multi CAS: Yes

Basic Information

CAS
73415-85-7
Multi CAS
Yes
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H,14,15)
InChIKey
AKQIYQXGTBXWND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.67
TPSA
41.13

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.1
Consensus LogP
1.38
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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