1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C23H28N2O2 — CID 113006809

IUPAC1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-16(2)18-8-10-21(11-9-18)24-22(26)19-12-14-25(15-13-19)23(27)20-6-4-17(3)5-7-20/h4-11,16,19H,12-15H2,1-3H3,(H,24,26)
InChIKeyWICQVSDEJXTHGD-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.61
Rot. Bonds4

About 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 113006809) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID113006809
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-16(2)18-8-10-21(11-9-18)24-22(26)19-12-14-25(15-13-19)23(27)20-6-4-17(3)5-7-20/h4-11,16,19H,12-15H2,1-3H3,(H,24,26)
InChIKeyWICQVSDEJXTHGD-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 9293494
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
N-[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 24567090
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 113006809) is 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is WICQVSDEJXTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)18-8-10-21(11-9-18)24-22(26)19-12-14-25(15-13-19)23(27)20-6-4-17(3)5-7-20/h4-11,16,19H,12-15H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).