1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide

C17H25ClN2O — CID 43918490

IUPAC1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O/c1-13(2)10-19-17(21)15-7-5-9-20(12-15)11-14-6-3-4-8-16(14)18/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H,19,21)
InChIKeyQTQVSDIQBXMEHU-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.32
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 43918490) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID43918490
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O/c1-13(2)10-19-17(21)15-7-5-9-20(12-15)11-14-6-3-4-8-16(14)18/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H,19,21)
InChIKeyQTQVSDIQBXMEHU-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
1-[(2-chlorophenyl)methyl]-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 132664361
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43933632
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 93491132
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 43918490) is 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is QTQVSDIQBXMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(2)10-19-17(21)15-7-5-9-20(12-15)11-14-6-3-4-8-16(14)18/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43918490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).