1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

C19H22N2O4 — CID 6463040

IUPAC1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N2O4/c1-13-5-6-16(24-2)15(12-13)20-18(22)14-7-9-21(10-8-14)19(23)17-4-3-11-25-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22)
InChIKeyBYHQDUOFFJHVCF-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.09
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (PubChem CID 6463040) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
PubChem CID6463040
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N2O4/c1-13-5-6-16(24-2)15(12-13)20-18(22)14-7-9-21(10-8-14)19(23)17-4-3-11-25-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22)
InChIKeyBYHQDUOFFJHVCF-UHFFFAOYSA-N
XLogP3.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-acetamido-5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
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N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2-ethyl-5-methyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (CID 6463040) is 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The InChIKey is BYHQDUOFFJHVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-5-6-16(24-2)15(12-13)20-18(22)14-7-9-21(10-8-14)19(23)17-4-3-11-25-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22).
What are the key properties of 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 6463040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).