3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C24H23F2N3O — CID 95819416

IUPAC3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C24H23F2N3O/c25-19-10-7-17(8-11-19)9-12-22(30)29-15-3-4-18(16-29)23-24(28-14-13-27-23)20-5-1-2-6-21(20)26/h1-2,5-8,10-11,13-14,18H,3-4,9,12,15-16H2/t18-/m0/s1
InChIKeyHBDBUIYIZNMLGN-SFHVURJKSA-N
MW407.46 g/mol
LogP4.76
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95819416) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95819416
Molecular FormulaC24H23F2N3O
Molecular Weight407.46 g/mol
Exact Mass407.18
IUPAC Name3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C24H23F2N3O/c25-19-10-7-17(8-11-19)9-12-22(30)29-15-3-4-18(16-29)23-24(28-14-13-27-23)20-5-1-2-6-21(20)26/h1-2,5-8,10-11,13-14,18H,3-4,9,12,15-16H2/t18-/m0/s1
InChIKeyHBDBUIYIZNMLGN-SFHVURJKSA-N
XLogP4.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
3-(4-fluorophenyl)-1-[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819418
1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890
2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819329
1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255005
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
1-[3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110255191
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
3-(4-fluorophenyl)-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95838020
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 95819416) is 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one is O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HBDBUIYIZNMLGN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23F2N3O/c25-19-10-7-17(8-11-19)9-12-22(30)29-15-3-4-18(16-29)23-24(28-14-13-27-23)20-5-1-2-6-21(20)26/h1-2,5-8,10-11,13-14,18H,3-4,9,12,15-16H2/t18-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 407.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95819416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).