4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

C17H25FN4O — CID 126899891

IUPAC4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nccc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C17H25FN4O/c1-12(2)17-19-6-3-15(20-17)21-7-4-14(5-8-21)22-11-13(10-18)9-16(22)23/h3,6,12-14H,4-5,7-11H2,1-2H3
InChIKeyNPDNWTUAFIAXAG-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.39
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899891) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899891
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nccc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C17H25FN4O/c1-12(2)17-19-6-3-15(20-17)21-7-4-14(5-8-21)22-11-13(10-18)9-16(22)23/h3,6,12-14H,4-5,7-11H2,1-2H3
InChIKeyNPDNWTUAFIAXAG-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899887
4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899802
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
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
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
1-methyl-3-[1-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948789
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 155974234
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 97212136

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899891) is 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is CC(C)c1nccc(N2CCC(N3CC(CF)CC3=O)CC2)n1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is NPDNWTUAFIAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-12(2)17-19-6-3-15(20-17)21-7-4-14(5-8-21)22-11-13(10-18)9-16(22)23/h3,6,12-14H,4-5,7-11H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).