4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

C15H23FN4O — CID 126899862

IUPAC4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCn1cnc(CN2CCC(N3CC(CF)CC3=O)CC2)c1
InChIInChI=1S/C15H23FN4O/c1-18-9-13(17-11-18)10-19-4-2-14(3-5-19)20-8-12(7-16)6-15(20)21/h9,11-12,14H,2-8,10H2,1H3
InChIKeyIDPOEXLFRBWGIX-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.20
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899862) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899862
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCn1cnc(CN2CCC(N3CC(CF)CC3=O)CC2)c1
InChIInChI=1S/C15H23FN4O/c1-18-9-13(17-11-18)10-19-4-2-14(3-5-19)20-8-12(7-16)6-15(20)21/h9,11-12,14H,2-8,10H2,1H3
InChIKeyIDPOEXLFRBWGIX-UHFFFAOYSA-N
XLogP1.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899862) is 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is Cn1cnc(CN2CCC(N3CC(CF)CC3=O)CC2)c1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is IDPOEXLFRBWGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-18-9-13(17-11-18)10-19-4-2-14(3-5-19)20-8-12(7-16)6-15(20)21/h9,11-12,14H,2-8,10H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 294.37 g/mol, XLogP of 1.20, 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-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).