4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one

C14H19FN4O — CID 126899738

IUPAC4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H19FN4O/c15-8-11-7-14(20)19(10-11)12-1-5-18(6-2-12)13-9-16-3-4-17-13/h3-4,9,11-12H,1-2,5-8,10H2
InChIKeyZBVFXTMLMLKCTE-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.26
Rot. Bonds3

About 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one

4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 126899738) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID126899738
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H19FN4O/c15-8-11-7-14(20)19(10-11)12-1-5-18(6-2-12)13-9-16-3-4-17-13/h3-4,9,11-12H,1-2,5-8,10H2
InChIKeyZBVFXTMLMLKCTE-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222601
N-cyclohexyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 655805
[4-(methoxymethyl)piperidin-1-yl]-[(3S,4S)-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidin-3-yl]methanone
CID 124052074
N-[2-(pyrazin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502105
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
CID 97402611
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one
CID 97508725
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97508727
N-Cyclopropyl-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 23609082
N-ethyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 23609092

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one (CID 126899738) is 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2cnccn2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is ZBVFXTMLMLKCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-8-11-7-14(20)19(10-11)12-1-5-18(6-2-12)13-9-16-3-4-17-13/h3-4,9,11-12H,1-2,5-8,10H2.
What are the key properties of 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 126899738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).