1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide

C17H21N3O2 — CID 113008689

IUPAC1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C17H21N3O2/c1-2-5-16(21)20-10-8-13(9-11-20)17(22)19-15-7-4-3-6-14(15)12-18/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,19,22)
InChIKeyXHZMBSKUAKAFKD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.54
Rot. Bonds4

About 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide

1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide (PubChem CID 113008689) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
PubChem CID113008689
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C17H21N3O2/c1-2-5-16(21)20-10-8-13(9-11-20)17(22)19-15-7-4-3-6-14(15)12-18/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,19,22)
InChIKeyXHZMBSKUAKAFKD-UHFFFAOYSA-N
XLogP2.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008709
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide (CID 113008689) is 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide?
The InChIKey is XHZMBSKUAKAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-5-16(21)20-10-8-13(9-11-20)17(22)19-15-7-4-3-6-14(15)12-18/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,19,22).
What are the key properties of 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide?
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).