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

C23H28N2O2 — CID 17018975

IUPAC1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-3-17(2)20-11-7-8-12-21(20)24-22(26)18-13-15-25(16-14-18)23(27)19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,24,26)
InChIKeyAJSYCRKGRBSHPW-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.69
Rot. Bonds5

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

1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 17018975) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID17018975
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-3-17(2)20-11-7-8-12-21(20)24-22(26)18-13-15-25(16-14-18)23(27)19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,24,26)
InChIKeyAJSYCRKGRBSHPW-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
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-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
(2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 9223233
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide (CID 17018975) is 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide is CCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is AJSYCRKGRBSHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-17(2)20-11-7-8-12-21(20)24-22(26)18-13-15-25(16-14-18)23(27)19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,24,26).
What are the key properties of 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide?
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17018975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).