1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C23H25FN4O2 — CID 24792064

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c1-30-21-9-8-17(22(24)14-21)15-27-11-3-5-18(16-27)23(29)26-19-6-2-7-20(13-19)28-12-4-10-25-28/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyLHCAKGUVWMYMLD-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.87
Rot. Bonds6

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24792064) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24792064
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c1-30-21-9-8-17(22(24)14-21)15-27-11-3-5-18(16-27)23(29)26-19-6-2-7-20(13-19)28-12-4-10-25-28/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyLHCAKGUVWMYMLD-UHFFFAOYSA-N
XLogP3.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24792064) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is COc1ccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is LHCAKGUVWMYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-21-9-8-17(22(24)14-21)15-27-11-3-5-18(16-27)23(29)26-19-6-2-7-20(13-19)28-12-4-10-25-28/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3,(H,26,29).
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24792064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).