4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one

C15H21FN4O — CID 126899802

IUPAC4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1cncc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C15H21FN4O/c1-11-8-17-9-14(18-11)19-4-2-13(3-5-19)20-10-12(7-16)6-15(20)21/h8-9,12-13H,2-7,10H2,1H3
InChIKeyXIDUELMKMVICGS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.57
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899802) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899802
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1cncc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C15H21FN4O/c1-11-8-17-9-14(18-11)19-4-2-13(3-5-19)20-10-12(7-16)6-15(20)21/h8-9,12-13H,2-7,10H2,1H3
InChIKeyXIDUELMKMVICGS-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899887
4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899891
4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899751
2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one
CID 126899934
4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899883
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942
2-(4-cyclopropylpiperazin-1-yl)-6-methylpyrazine
CID 133468968
4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899718
(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-ol
CID 129412688
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
[1-(6-methylpyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673528

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899802) is 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one is Cc1cncc(N2CCC(N3CC(CF)CC3=O)CC2)n1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is XIDUELMKMVICGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-11-8-17-9-14(18-11)19-4-2-13(3-5-19)20-10-12(7-16)6-15(20)21/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 292.36 g/mol, XLogP of 1.57, 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-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).