1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

C17H23ClN2O2 — CID 113007300

IUPAC1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-4-16(21)20-9-7-13(8-10-20)17(22)19-14-6-5-12(2)15(18)11-14/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyYHXRIFVGDTUJIN-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.63
Rot. Bonds4

About 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 113007300) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID113007300
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-4-16(21)20-9-7-13(8-10-20)17(22)19-14-6-5-12(2)15(18)11-14/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyYHXRIFVGDTUJIN-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119798327

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (CID 113007300) is 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is YHXRIFVGDTUJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-3-4-16(21)20-9-7-13(8-10-20)17(22)19-14-6-5-12(2)15(18)11-14/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,19,22).
What are the key properties of 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).