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

C18H19FN4O — CID 70745276

IUPAC4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(c2ncnc3c2CCC3)CCN1Cc1ccccc1F
InChIInChI=1S/C18H19FN4O/c19-15-6-2-1-4-13(15)10-22-8-9-23(11-17(22)24)18-14-5-3-7-16(14)20-12-21-18/h1-2,4,6,12H,3,5,7-11H2
InChIKeyDGYPZUCQEXOJNM-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.95
Rot. Bonds3

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

4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one (PubChem CID 70745276) has the molecular formula C18H19FN4O and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one
PubChem CID70745276
Molecular FormulaC18H19FN4O
Molecular Weight326.37 g/mol
Exact Mass326.15
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(c2ncnc3c2CCC3)CCN1Cc1ccccc1F
InChIInChI=1S/C18H19FN4O/c19-15-6-2-1-4-13(15)10-22-8-9-23(11-17(22)24)18-14-5-3-7-16(14)20-12-21-18/h1-2,4,6,12H,3,5,7-11H2
InChIKeyDGYPZUCQEXOJNM-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one (CID 70745276) is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one is O=C1CN(c2ncnc3c2CCC3)CCN1Cc1ccccc1F.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is DGYPZUCQEXOJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-6-2-1-4-13(15)10-22-8-9-23(11-17(22)24)18-14-5-3-7-16(14)20-12-21-18/h1-2,4,6,12H,3,5,7-11H2.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 326.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 70745276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).