CAS RN: 172733-78-7
4-(ACETYLAMINO)-1-BENZYL-4-PHENYLPIPERIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250621 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS172733-78-7
- Purity/Analytical Methods: >99.0%
172733-78-7 / N-(1-benzyl-4-phenylpiperidin-4-yl)acetamide
Basic Information
CAS
172733-78-7
Multi CAS
No
Molecular Formula
C20H24N2O
Molecular Weight
308.400000
Exact Mass
308.188863
SMILES
CC(=O)NC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O/c1-17(23)21-20(19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3,(H,21,23)
InChIKey
JZIHXLNGPVLLDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
92.89
TPSA
32.34
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
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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