1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide

C21H22N4O3 — CID 39189984

IUPAC1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H22N4O3/c26-20(17-5-10-24(11-6-17)21(27)18-7-12-28-15-18)23-19-4-1-3-16(13-19)14-25-9-2-8-22-25/h1-4,7-9,12-13,15,17H,5-6,10-11,14H2,(H,23,26)
InChIKeyZSIOJIJCJMCFOT-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.02
Rot. Bonds5

About 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 39189984) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID39189984
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H22N4O3/c26-20(17-5-10-24(11-6-17)21(27)18-7-12-28-15-18)23-19-4-1-3-16(13-19)14-25-9-2-8-22-25/h1-4,7-9,12-13,15,17H,5-6,10-11,14H2,(H,23,26)
InChIKeyZSIOJIJCJMCFOT-UHFFFAOYSA-N
XLogP3.02
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 39190015
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
1-(furan-3-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 35713952
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
CID 86872747

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide (CID 39189984) is 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZSIOJIJCJMCFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(17-5-10-24(11-6-17)21(27)18-7-12-28-15-18)23-19-4-1-3-16(13-19)14-25-9-2-8-22-25/h1-4,7-9,12-13,15,17H,5-6,10-11,14H2,(H,23,26).
What are the key properties of 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 39189984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).