(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone

C24H26FN3O — CID 42403988

IUPAC(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C24H26FN3O/c25-23-17-20(10-11-22(23)19-7-2-1-3-8-19)24(29)21-9-4-13-27(18-21)14-6-16-28-15-5-12-26-28/h1-3,5,7-8,10-12,15,17,21H,4,6,9,13-14,16,18H2/t21-/m0/s1
InChIKeyMTIXMOUMWMVFBQ-NRFANRHFSA-N
MW391.49 g/mol
LogP4.67
Rot. Bonds7

About (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone

(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone (PubChem CID 42403988) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
PubChem CID42403988
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C24H26FN3O/c25-23-17-20(10-11-22(23)19-7-2-1-3-8-19)24(29)21-9-4-13-27(18-21)14-6-16-28-15-5-12-26-28/h1-3,5,7-8,10-12,15,17,21H,4,6,9,13-14,16,18H2/t21-/m0/s1
InChIKeyMTIXMOUMWMVFBQ-NRFANRHFSA-N
XLogP4.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
3-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-N-methylpropanamide
CID 95525253
(3-fluoro-4-phenylphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45248514
(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
CID 45252549
cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711
(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
CID 26393022
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
(3-fluoro-4-phenylphenyl)-[(3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]methanone
CID 42241584
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone (CID 42403988) is (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone is O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(CCCn2cccn2)C1.
What is the InChIKey of (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The InChIKey is MTIXMOUMWMVFBQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-23-17-20(10-11-22(23)19-7-2-1-3-8-19)24(29)21-9-4-13-27(18-21)14-6-16-28-15-5-12-26-28/h1-3,5,7-8,10-12,15,17,21H,4,6,9,13-14,16,18H2/t21-/m0/s1.
What are the key properties of (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone has a molecular weight of 391.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 42403988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).