4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one

C16H25FN4O3S — CID 126899733

IUPAC4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(N3CC(CF)CC3=O)CC2)c1
InChIInChI=1S/C16H25FN4O3S/c1-12(2)19-10-15(18-11-19)25(23,24)20-5-3-14(4-6-20)21-9-13(8-17)7-16(21)22/h10-14H,3-9H2,1-2H3
InChIKeyCYAWXIZOCLUWGA-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.44
Rot. Bonds5

About 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899733) has the molecular formula C16H25FN4O3S and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one
PubChem CID126899733
Molecular FormulaC16H25FN4O3S
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(N3CC(CF)CC3=O)CC2)c1
InChIInChI=1S/C16H25FN4O3S/c1-12(2)19-10-15(18-11-19)25(23,24)20-5-3-14(4-6-20)21-9-13(8-17)7-16(21)22/h10-14H,3-9H2,1-2H3
InChIKeyCYAWXIZOCLUWGA-UHFFFAOYSA-N
XLogP1.44
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one (CID 126899733) is 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one is CC(C)n1cnc(S(=O)(=O)N2CCC(N3CC(CF)CC3=O)CC2)c1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one?
The InChIKey is CYAWXIZOCLUWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O3S/c1-12(2)19-10-15(18-11-19)25(23,24)20-5-3-14(4-6-20)21-9-13(8-17)7-16(21)22/h10-14H,3-9H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one has a molecular weight of 372.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).