1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

C18H26N2O2 — CID 113006115

IUPAC1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-17(21)20-9-7-15(8-10-20)18(22)19-16-6-4-5-14(3)12-16/h4-6,12-13,15H,7-11H2,1-3H3,(H,19,22)
InChIKeyHYHDNLQMCONCOF-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 113006115) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID113006115
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-17(21)20-9-7-15(8-10-20)18(22)19-16-6-4-5-14(3)12-16/h4-6,12-13,15H,7-11H2,1-3H3,(H,19,22)
InChIKeyHYHDNLQMCONCOF-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 131934804
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (CID 113006115) is 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is HYHDNLQMCONCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)11-17(21)20-9-7-15(8-10-20)18(22)19-16-6-4-5-14(3)12-16/h4-6,12-13,15H,7-11H2,1-3H3,(H,19,22).
What are the key properties of 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).