1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide

C18H25ClN2O2 — CID 113005002

IUPAC1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-2-3-17(22)21-12-9-15(10-13-21)18(23)20-11-8-14-4-6-16(19)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyMFXOEIJTCHKCKQ-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.04
Rot. Bonds6

About 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide

1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 113005002) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID113005002
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-2-3-17(22)21-12-9-15(10-13-21)18(23)20-11-8-14-4-6-16(19)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyMFXOEIJTCHKCKQ-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-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

4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide (CID 113005002) is 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is MFXOEIJTCHKCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-2-3-17(22)21-12-9-15(10-13-21)18(23)20-11-8-14-4-6-16(19)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,20,23).
What are the key properties of 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide?
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 113005002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).