N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

C19H22N2O3 — CID 6463047

IUPACN-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C19H22N2O3/c1-13-5-3-6-16(14(13)2)20-18(22)15-8-10-21(11-9-15)19(23)17-7-4-12-24-17/h3-7,12,15H,8-11H2,1-2H3,(H,20,22)
InChIKeyGPJWZCLFKQHIQL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6463047) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID6463047
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C19H22N2O3/c1-13-5-3-6-16(14(13)2)20-18(22)15-8-10-21(11-9-15)19(23)17-7-4-12-24-17/h3-7,12,15H,8-11H2,1-2H3,(H,20,22)
InChIKeyGPJWZCLFKQHIQL-UHFFFAOYSA-N
XLogP3.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 6463047) is N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is GPJWZCLFKQHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-5-3-6-16(14(13)2)20-18(22)15-8-10-21(11-9-15)19(23)17-7-4-12-24-17/h3-7,12,15H,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6463047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).