4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

C19H24N4O — CID 136881743

IUPAC4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCCN2C2CCCC2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C19H24N4O/c24-18-13-16(21-19(22-18)14-8-10-20-11-9-14)17-7-3-4-12-23(17)15-5-1-2-6-15/h8-11,13,15,17H,1-7,12H2,(H,21,22,24)
InChIKeyLURMFGAJCMKYGX-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.30
Rot. Bonds3

About 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136881743) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136881743
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCCN2C2CCCC2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C19H24N4O/c24-18-13-16(21-19(22-18)14-8-10-20-11-9-14)17-7-3-4-12-23(17)15-5-1-2-6-15/h8-11,13,15,17H,1-7,12H2,(H,21,22,24)
InChIKeyLURMFGAJCMKYGX-UHFFFAOYSA-N
XLogP3.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136881743) is 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(C2CCCCN2C2CCCC2)nc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is LURMFGAJCMKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-18-13-16(21-19(22-18)14-8-10-20-11-9-14)17-7-3-4-12-23(17)15-5-1-2-6-15/h8-11,13,15,17H,1-7,12H2,(H,21,22,24).
What are the key properties of 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 324.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpiperidin-2-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).