N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide

C17H23ClN2O2 — CID 113007102

IUPACN-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(2)11-16(21)20-9-7-13(8-10-20)17(22)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)
InChIKeySVERGELSJKZKFK-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.56
Rot. Bonds4

About N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide

N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (PubChem CID 113007102) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
PubChem CID113007102
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(2)11-16(21)20-9-7-13(8-10-20)17(22)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)
InChIKeySVERGELSJKZKFK-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 15951868
methyl 4-chloro-3-[[1-(3-methylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008032
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide
CID 71227956
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (CID 113007102) is N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide is CC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The InChIKey is SVERGELSJKZKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(2)11-16(21)20-9-7-13(8-10-20)17(22)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).