1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C24H26N4O — CID 45229650

IUPAC1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C24H26N4O/c29-24(26-22-12-4-13-23(18-22)28-17-7-14-25-28)21-11-6-16-27(19-21)15-5-10-20-8-2-1-3-9-20/h1-5,7-10,12-14,17-18,21H,6,11,15-16,19H2,(H,26,29)/b10-5+
InChIKeyMBXWHVBZEXRQPK-BJMVGYQFSA-N
MW386.50 g/mol
LogP4.24
Rot. Bonds6

About 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 45229650) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID45229650
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C24H26N4O/c29-24(26-22-12-4-13-23(18-22)28-17-7-14-25-28)21-11-6-16-27(19-21)15-5-10-20-8-2-1-3-9-20/h1-5,7-10,12-14,17-18,21H,6,11,15-16,19H2,(H,26,29)/b10-5+
InChIKeyMBXWHVBZEXRQPK-BJMVGYQFSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-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

1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45208952
1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24793047
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45226311
1-(1,2-oxazol-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45193960
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24817625
1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26324219
ethyl 4-[3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45230119
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 45229650) is 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)C1CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is MBXWHVBZEXRQPK-BJMVGYQFSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(26-22-12-4-13-23(18-22)28-17-7-14-25-28)21-11-6-16-27(19-21)15-5-10-20-8-2-1-3-9-20/h1-5,7-10,12-14,17-18,21H,6,11,15-16,19H2,(H,26,29)/b10-5+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 45229650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).