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

C22H22F2N4O — CID 24790064

IUPAC1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C22H22F2N4O/c23-20-9-1-5-16(21(20)24)14-27-11-3-6-17(15-27)22(29)26-18-7-2-8-19(13-18)28-12-4-10-25-28/h1-2,4-5,7-10,12-13,17H,3,6,11,14-15H2,(H,26,29)
InChIKeyVPZMGFOZJLKOBP-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.00
Rot. Bonds5

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

1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24790064) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24790064
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C22H22F2N4O/c23-20-9-1-5-16(21(20)24)14-27-11-3-6-17(15-27)22(29)26-18-7-2-8-19(13-18)28-12-4-10-25-28/h1-2,4-5,7-10,12-13,17H,3,6,11,14-15H2,(H,26,29)
InChIKeyVPZMGFOZJLKOBP-UHFFFAOYSA-N
XLogP4.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24790064) is 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2cccc(F)c2F)C1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is VPZMGFOZJLKOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c23-20-9-1-5-16(21(20)24)14-27-11-3-6-17(15-27)22(29)26-18-7-2-8-19(13-18)28-12-4-10-25-28/h1-2,4-5,7-10,12-13,17H,3,6,11,14-15H2,(H,26,29).
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).