(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone

C23H24FN3O — CID 45252549

IUPAC(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
SMILESCc1cc(CN2CCCC(C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)n[nH]1
InChIInChI=1S/C23H24FN3O/c1-16-12-20(26-25-16)15-27-11-5-8-19(14-27)23(28)18-9-10-21(22(24)13-18)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1H3,(H,25,26)
InChIKeyJXHFTMLODFSDGA-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.62
Rot. Bonds5

About (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone

(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45252549) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
PubChem CID45252549
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
SMILESCc1cc(CN2CCCC(C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)n[nH]1
InChIInChI=1S/C23H24FN3O/c1-16-12-20(26-25-16)15-27-11-5-8-19(14-27)23(28)18-9-10-21(22(24)13-18)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1H3,(H,25,26)
InChIKeyJXHFTMLODFSDGA-UHFFFAOYSA-N
XLogP4.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-phenylphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45248514
3-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-N-methylpropanamide
CID 95525253
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 42403988
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691
(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
CID 26393022
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693
cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-fluoro-4-phenylphenyl)methanone
CID 25283984
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 45206143

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone (CID 45252549) is (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone is Cc1cc(CN2CCCC(C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)n[nH]1.
What is the InChIKey of (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is JXHFTMLODFSDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-16-12-20(26-25-16)15-27-11-5-8-19(14-27)23(28)18-9-10-21(22(24)13-18)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1H3,(H,25,26).
What are the key properties of (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone?
(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 377.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45252549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).