1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide

C25H32N2O2 — CID 113008347

IUPAC1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-17(2)21-11-8-12-22(18(3)4)23(21)26-24(28)19-13-15-27(16-14-19)25(29)20-9-6-5-7-10-20/h5-12,17-19H,13-16H2,1-4H3,(H,26,28)
InChIKeyBZXIZJJCEZSESB-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.42
Rot. Bonds5

About 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide

1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 113008347) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID113008347
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-17(2)21-11-8-12-22(18(3)4)23(21)26-24(28)19-13-15-27(16-14-19)25(29)20-9-6-5-7-10-20/h5-12,17-19H,13-16H2,1-4H3,(H,26,28)
InChIKeyBZXIZJJCEZSESB-UHFFFAOYSA-N
XLogP5.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.42
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-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide (CID 113008347) is 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is BZXIZJJCEZSESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-17(2)21-11-8-12-22(18(3)4)23(21)26-24(28)19-13-15-27(16-14-19)25(29)20-9-6-5-7-10-20/h5-12,17-19H,13-16H2,1-4H3,(H,26,28).
What are the key properties of 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide?
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 113008347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).