N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide

C19H20N2O4 — CID 42895769

IUPACN-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C19H20N2O4/c1-13(22)14-5-2-7-16(11-14)20-18(23)15-6-3-9-21(12-15)19(24)17-8-4-10-25-17/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3,(H,20,23)
InChIKeyWBJPTKCZGRUYJE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.97
Rot. Bonds4

About N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide

N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42895769) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID42895769
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C19H20N2O4/c1-13(22)14-5-2-7-16(11-14)20-18(23)15-6-3-9-21(12-15)19(24)17-8-4-10-25-17/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3,(H,20,23)
InChIKeyWBJPTKCZGRUYJE-UHFFFAOYSA-N
XLogP2.97
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172
1-(furan-2-carbonyl)-N-(3-iodo-4-methylphenyl)piperidine-3-carboxamide
CID 46526702
1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide
CID 46490620
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
3-N-[3-(furan-2-carbonylamino)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42935667
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35824611
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 42895769) is N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is WBJPTKCZGRUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(22)14-5-2-7-16(11-14)20-18(23)15-6-3-9-21(12-15)19(24)17-8-4-10-25-17/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42895769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).