N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

C23H27ClN2O2 — CID 17119279

IUPACN-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O2/c1-3-16(2)20-6-4-5-7-21(20)25-22(27)17-12-14-26(15-13-17)23(28)18-8-10-19(24)11-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyVKUSWFSDXDMSFF-UHFFFAOYSA-N
MW398.93 g/mol
LogP5.34
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 17119279) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID17119279
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O2/c1-3-16(2)20-6-4-5-7-21(20)25-22(27)17-12-14-26(15-13-17)23(28)18-8-10-19(24)11-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyVKUSWFSDXDMSFF-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide
CID 43066780
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119046

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide (CID 17119279) is N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide is CCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is VKUSWFSDXDMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-3-16(2)20-6-4-5-7-21(20)25-22(27)17-12-14-26(15-13-17)23(28)18-8-10-19(24)11-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,27).
What are the key properties of N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17119279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).