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

C22H20FN3O — CID 95818693

IUPAC[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H20FN3O/c23-19-10-8-16(9-11-19)20-21(25-13-12-24-20)18-7-4-14-26(15-18)22(27)17-5-2-1-3-6-17/h1-3,5-6,8-13,18H,4,7,14-15H2/t18-/m0/s1
InChIKeyHYOYHOBRWNJBEJ-SFHVURJKSA-N
MW361.42 g/mol
LogP4.30
Rot. Bonds3

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

[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 95818693) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID95818693
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H20FN3O/c23-19-10-8-16(9-11-19)20-21(25-13-12-24-20)18-7-4-14-26(15-18)22(27)17-5-2-1-3-6-17/h1-3,5-6,8-13,18H,4,7,14-15H2/t18-/m0/s1
InChIKeyHYOYHOBRWNJBEJ-SFHVURJKSA-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

[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95819245
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
CID 95818599
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (CID 95818693) is [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is HYOYHOBRWNJBEJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-10-8-16(9-11-19)20-21(25-13-12-24-20)18-7-4-14-26(15-18)22(27)17-5-2-1-3-6-17/h1-3,5-6,8-13,18H,4,7,14-15H2/t18-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone 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 [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95818693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).