N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide

C21H25ClN2O — CID 11314302

IUPACN-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H25ClN2O/c1-24-12-11-20(17-7-9-19(22)10-8-17)18(15-24)13-21(25)23-14-16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3,(H,23,25)/t18-,20+/m0/s1
InChIKeyJVZFUFCDIAOQJH-AZUAARDMSA-N
MW356.90 g/mol
LogP4.08
Rot. Bonds5

About N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide

N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide (PubChem CID 11314302) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide
PubChem CID11314302
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H25ClN2O/c1-24-12-11-20(17-7-9-19(22)10-8-17)18(15-24)13-21(25)23-14-16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3,(H,23,25)/t18-,20+/m0/s1
InChIKeyJVZFUFCDIAOQJH-AZUAARDMSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide (CID 11314302) is N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide is CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide?
The InChIKey is JVZFUFCDIAOQJH-AZUAARDMSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-24-12-11-20(17-7-9-19(22)10-8-17)18(15-24)13-21(25)23-14-16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3,(H,23,25)/t18-,20+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide?
N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide has a molecular weight of 356.90 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 11314302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).