[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C22H20FN3O — CID 99994862

IUPAC[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccc(F)cc1)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C22H20FN3O/c23-18-9-7-16(8-10-18)19-5-1-2-6-20(19)22(27)26-13-3-4-17(14-26)21-11-12-24-15-25-21/h1-2,5-12,15,17H,3-4,13-14H2/t17-/m1/s1
InChIKeyRKWNSKBUMKXDOQ-QGZVFWFLSA-N
MW361.42 g/mol
LogP4.30
Rot. Bonds3

About [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 99994862) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID99994862
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccc(F)cc1)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C22H20FN3O/c23-18-9-7-16(8-10-18)19-5-1-2-6-20(19)22(27)26-13-3-4-17(14-26)21-11-12-24-15-25-21/h1-2,5-12,15,17H,3-4,13-14H2/t17-/m1/s1
InChIKeyRKWNSKBUMKXDOQ-QGZVFWFLSA-N
XLogP4.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126440128
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126431930
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124969421
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53137664
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 99994862) is [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is O=C(c1ccccc1-c1ccc(F)cc1)N1CCC[C@@H](c2ccncn2)C1.
What is the InChIKey of [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is RKWNSKBUMKXDOQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-18-9-7-16(8-10-18)19-5-1-2-6-20(19)22(27)26-13-3-4-17(14-26)21-11-12-24-15-25-21/h1-2,5-12,15,17H,3-4,13-14H2/t17-/m1/s1.
What are the key properties of [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 361.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 99994862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).