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

C18H20N2O3 — CID 6463949

IUPAC1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-6-15(7-5-13)19-17(21)14-8-10-20(11-9-14)18(22)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3,(H,19,21)
InChIKeyURBYEILPQXOFCN-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds3

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

1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 6463949) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID6463949
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-6-15(7-5-13)19-17(21)14-8-10-20(11-9-14)18(22)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3,(H,19,21)
InChIKeyURBYEILPQXOFCN-UHFFFAOYSA-N
XLogP3.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide (CID 6463949) is 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is URBYEILPQXOFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-6-15(7-5-13)19-17(21)14-8-10-20(11-9-14)18(22)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3,(H,19,21).
What are the key properties of 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 6463949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).