1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C24H26N4O — CID 45180971

IUPAC1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(26-22-9-11-23(12-10-22)28-17-5-15-25-28)21-13-18-27(19-14-21)16-4-8-20-6-2-1-3-7-20/h1-12,15,17,21H,13-14,16,18-19H2,(H,26,29)/b8-4+
InChIKeyAGLBIELSRXFKDH-XBXARRHUSA-N
MW386.50 g/mol
LogP4.24
Rot. Bonds6

About 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 45180971) 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-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID45180971
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(26-22-9-11-23(12-10-22)28-17-5-15-25-28)21-13-18-27(19-14-21)16-4-8-20-6-2-1-3-7-20/h1-12,15,17,21H,13-14,16,18-19H2,(H,26,29)/b8-4+
InChIKeyAGLBIELSRXFKDH-XBXARRHUSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 45180971) is 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is AGLBIELSRXFKDH-XBXARRHUSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(26-22-9-11-23(12-10-22)28-17-5-15-25-28)21-13-18-27(19-14-21)16-4-8-20-6-2-1-3-7-20/h1-12,15,17,21H,13-14,16,18-19H2,(H,26,29)/b8-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-[(E)-3-phenylprop-2-enyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-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-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45180971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).