1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide

C23H28N2O2 — CID 113006047

IUPAC1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)19-11-9-18(10-12-19)22(27)25-15-13-17(14-16-25)21(26)24-20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3,(H,24,26)
InChIKeyVXTOBTIBRGAQTB-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.47
Rot. Bonds3

About 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 113006047) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
PubChem CID113006047
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)19-11-9-18(10-12-19)22(27)25-15-13-17(14-16-25)21(26)24-20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3,(H,24,26)
InChIKeyVXTOBTIBRGAQTB-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
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-nitrophenyl)piperidine-4-carboxamide
CID 126057580
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-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide (CID 113006047) is 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is VXTOBTIBRGAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)19-11-9-18(10-12-19)22(27)25-15-13-17(14-16-25)21(26)24-20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.47, 3 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-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 113006047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).