1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

C18H26N2O4 — CID 113007690

IUPAC1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-4-5-17(21)20-10-8-13(9-11-20)18(22)19-15-12-14(23-2)6-7-16(15)24-3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyFJLRDMVDTSCVGV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.68
Rot. Bonds6

About 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 113007690) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
PubChem CID113007690
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-4-5-17(21)20-10-8-13(9-11-20)18(22)19-15-12-14(23-2)6-7-16(15)24-3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyFJLRDMVDTSCVGV-UHFFFAOYSA-N
XLogP2.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (CID 113007690) is 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is FJLRDMVDTSCVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-5-17(21)20-10-8-13(9-11-20)18(22)19-15-12-14(23-2)6-7-16(15)24-3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,22).
What are the key properties of 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).