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

C16H23FN4O — CID 126899745

IUPAC1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCc1cc(C)nc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C16H23FN4O/c1-11-7-12(2)19-16(18-11)20-5-3-14(4-6-20)21-10-13(9-17)8-15(21)22/h7,13-14H,3-6,8-10H2,1-2H3
InChIKeyOMACCYZALGHWTO-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.88
Rot. Bonds3

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

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899745) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899745
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCc1cc(C)nc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C16H23FN4O/c1-11-7-12(2)19-16(18-11)20-5-3-14(4-6-20)21-10-13(9-17)8-15(21)22/h7,13-14H,3-6,8-10H2,1-2H3
InChIKeyOMACCYZALGHWTO-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899802
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-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899887
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942
4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899718
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 163356602
1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126900033
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899745) is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is Cc1cc(C)nc(N2CCC(N3CC(CF)CC3=O)CC2)n1.
What is the InChIKey of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is OMACCYZALGHWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-11-7-12(2)19-16(18-11)20-5-3-14(4-6-20)21-10-13(9-17)8-15(21)22/h7,13-14H,3-6,8-10H2,1-2H3.
What are the key properties of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 306.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).