1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C22H23FN4O — CID 24819550

IUPAC1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H23FN4O/c23-21-10-2-1-6-17(21)15-26-12-4-7-18(16-26)22(28)25-19-8-3-9-20(14-19)27-13-5-11-24-27/h1-3,5-6,8-11,13-14,18H,4,7,12,15-16H2,(H,25,28)
InChIKeyFACOQRLCURSROT-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.86
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24819550) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24819550
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H23FN4O/c23-21-10-2-1-6-17(21)15-26-12-4-7-18(16-26)22(28)25-19-8-3-9-20(14-19)27-13-5-11-24-27/h1-3,5-6,8-11,13-14,18H,4,7,12,15-16H2,(H,25,28)
InChIKeyFACOQRLCURSROT-UHFFFAOYSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24819550) is 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is FACOQRLCURSROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-21-10-2-1-6-17(21)15-26-12-4-7-18(16-26)22(28)25-19-8-3-9-20(14-19)27-13-5-11-24-27/h1-3,5-6,8-11,13-14,18H,4,7,12,15-16H2,(H,25,28).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24819550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).