1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide

C25H31N3O3 — CID 55945797

IUPAC1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)C1
InChIInChI=1S/C25H31N3O3/c1-3-6-23(29)28-14-5-8-21(17-28)24(30)26-16-19-7-4-9-22(15-19)27-25(31)20-12-10-18(2)11-13-20/h4,7,9-13,15,21H,3,5-6,8,14,16-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHYUUKRFXWKKBEM-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.90
Rot. Bonds7

About 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide

1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 55945797) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID55945797
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)C1
InChIInChI=1S/C25H31N3O3/c1-3-6-23(29)28-14-5-8-21(17-28)24(30)26-16-19-7-4-9-22(15-19)27-25(31)20-12-10-18(2)11-13-20/h4,7,9-13,15,21H,3,5-6,8,14,16-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHYUUKRFXWKKBEM-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
N-(4-methylphenyl)-5-[(3R)-3-[(3-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890523
1-butanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 60527795
1-(3,5-dimethylbenzoyl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 55792207
1-[3-[[(1-butanoylpiperidine-3-carbonyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629660
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
5-[3-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50787281
1-butanoyl-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]piperidine-3-carboxamide
CID 86962232
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide (CID 55945797) is 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)C1.
What is the InChIKey of 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is HYUUKRFXWKKBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-3-6-23(29)28-14-5-8-21(17-28)24(30)26-16-19-7-4-9-22(15-19)27-25(31)20-12-10-18(2)11-13-20/h4,7,9-13,15,21H,3,5-6,8,14,16-17H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55945797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).