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

C15H21FN4O — CID 126899798

IUPAC4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccnc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C15H21FN4O/c1-11-2-5-17-15(18-11)19-6-3-13(4-7-19)20-10-12(9-16)8-14(20)21/h2,5,12-13H,3-4,6-10H2,1H3
InChIKeyJONHQPPGYFXSGN-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.57
Rot. Bonds3

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

4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899798) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899798
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccnc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C15H21FN4O/c1-11-2-5-17-15(18-11)19-6-3-13(4-7-19)20-10-12(9-16)8-14(20)21/h2,5,12-13H,3-4,6-10H2,1H3
InChIKeyJONHQPPGYFXSGN-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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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899798) is 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one is Cc1ccnc(N2CCC(N3CC(CF)CC3=O)CC2)n1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is JONHQPPGYFXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-11-2-5-17-15(18-11)19-6-3-13(4-7-19)20-10-12(9-16)8-14(20)21/h2,5,12-13H,3-4,6-10H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(4-methylpyrimidin-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-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).