1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone

C22H21FN4O — CID 95819071

IUPAC1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H21FN4O/c23-19-5-3-17(4-6-19)21-22(26-12-11-25-21)18-2-1-13-27(15-18)20(28)14-16-7-9-24-10-8-16/h3-12,18H,1-2,13-15H2/t18-/m1/s1
InChIKeyDAMBNNGNXMVOTC-GOSISDBHSA-N
MW376.44 g/mol
LogP3.63
Rot. Bonds4

About 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone

1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 95819071) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID95819071
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H21FN4O/c23-19-5-3-17(4-6-19)21-22(26-12-11-25-21)18-2-1-13-27(15-18)20(28)14-16-7-9-24-10-8-16/h3-12,18H,1-2,13-15H2/t18-/m1/s1
InChIKeyDAMBNNGNXMVOTC-GOSISDBHSA-N
XLogP3.63
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
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
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255005
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
3-(4-fluorophenyl)-1-[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819418

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone (CID 95819071) is 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is DAMBNNGNXMVOTC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-19-5-3-17(4-6-19)21-22(26-12-11-25-21)18-2-1-13-27(15-18)20(28)14-16-7-9-24-10-8-16/h3-12,18H,1-2,13-15H2/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 376.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 95819071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).