1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide

C17H24ClN3O2 — CID 91833046

IUPAC1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1CCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-19-17(23)15-7-2-3-9-21(15)10-8-16(22)20-12-13-5-4-6-14(18)11-13/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyYGQKSDYJZYHBDK-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.95
Rot. Bonds6

About 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide

1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide (PubChem CID 91833046) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide
PubChem CID91833046
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1CCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-19-17(23)15-7-2-3-9-21(15)10-8-16(22)20-12-13-5-4-6-14(18)11-13/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyYGQKSDYJZYHBDK-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-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

N-[(3-chlorophenyl)methyl]-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 91833492
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
(2S)-1-[(2R)-2-amino-2-cyclohexylethyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 118736074
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975591
(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 97062239
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 45141361
N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide
CID 124756335
N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17400594
2-[(2S,3R)-2,3-bis(hydroxymethyl)piperidin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 138029793
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide (CID 91833046) is 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1CCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is YGQKSDYJZYHBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-19-17(23)15-7-2-3-9-21(15)10-8-16(22)20-12-13-5-4-6-14(18)11-13/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide?
1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 91833046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).