1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide

C25H32N2O2 — CID 113006609

IUPAC1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H32N2O2/c1-5-18-8-6-7-9-22(18)26-23(28)19-14-16-27(17-15-19)24(29)20-10-12-21(13-11-20)25(2,3)4/h6-13,19H,5,14-17H2,1-4H3,(H,26,28)
InChIKeyZTXRXFHRRIZHKW-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.04
Rot. Bonds4

About 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide (PubChem CID 113006609) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
PubChem CID113006609
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H32N2O2/c1-5-18-8-6-7-9-22(18)26-23(28)19-14-16-27(17-15-19)24(29)20-10-12-21(13-11-20)25(2,3)4/h6-13,19H,5,14-17H2,1-4H3,(H,26,28)
InChIKeyZTXRXFHRRIZHKW-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

1-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 126062025
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(4-tert-butylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003956
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932851
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38143669
1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 126059758
1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006619

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide (CID 113006609) is 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is ZTXRXFHRRIZHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-5-18-8-6-7-9-22(18)26-23(28)19-14-16-27(17-15-19)24(29)20-10-12-21(13-11-20)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-(2-ethylphenyl)piperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-(2-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-(2-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).