4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

C18H25FN4O — CID 126899933

IUPAC4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nc2c(c(N3CCC(N4CC(CF)CC4=O)CC3)n1)CCC2
InChIInChI=1S/C18H25FN4O/c1-12-20-16-4-2-3-15(16)18(21-12)22-7-5-14(6-8-22)23-11-13(10-19)9-17(23)24/h13-14H,2-11H2,1H3
InChIKeyDPHFTZYCXGBUEM-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.06
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899933) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899933
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nc2c(c(N3CCC(N4CC(CF)CC4=O)CC3)n1)CCC2
InChIInChI=1S/C18H25FN4O/c1-12-20-16-4-2-3-15(16)18(21-12)22-7-5-14(6-8-22)23-11-13(10-19)9-17(23)24/h13-14H,2-11H2,1H3
InChIKeyDPHFTZYCXGBUEM-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.06
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-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899933) is 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is Cc1nc2c(c(N3CCC(N4CC(CF)CC4=O)CC3)n1)CCC2.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is DPHFTZYCXGBUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-12-20-16-4-2-3-15(16)18(21-12)22-7-5-14(6-8-22)23-11-13(10-19)9-17(23)24/h13-14H,2-11H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 332.42 g/mol, XLogP of 2.06, 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-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).