1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide

C25H32N2O2 — CID 113006650

IUPAC1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-5-18-6-12-22(13-7-18)26-23(28)19-14-16-27(17-15-19)24(29)20-8-10-21(11-9-20)25(2,3)4/h6-13,19H,5,14-17H2,1-4H3,(H,26,28)
InChIKeyKQNFIIFYORDHNW-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.04
Rot. Bonds4

About 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide (PubChem CID 113006650) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
PubChem CID113006650
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-5-18-6-12-22(13-7-18)26-23(28)19-14-16-27(17-15-19)24(29)20-8-10-21(11-9-20)25(2,3)4/h6-13,19H,5,14-17H2,1-4H3,(H,26,28)
InChIKeyKQNFIIFYORDHNW-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006609
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide (CID 113006650) is 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is KQNFIIFYORDHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-5-18-6-12-22(13-7-18)26-23(28)19-14-16-27(17-15-19)24(29)20-8-10-21(11-9-20)25(2,3)4/h6-13,19H,5,14-17H2,1-4H3,(H,26,28).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).