3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one

C16H25N3O — CID 126940714

IUPAC3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C16H25N3O/c1-13-10-17-12-19(16(13)20)11-14-6-8-18(9-7-14)15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3
InChIKeyCZFHIIADDAAYJY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.21
Rot. Bonds3

About 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one

3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one (PubChem CID 126940714) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one
PubChem CID126940714
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C16H25N3O/c1-13-10-17-12-19(16(13)20)11-14-6-8-18(9-7-14)15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3
InChIKeyCZFHIIADDAAYJY-UHFFFAOYSA-N
XLogP2.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one (CID 126940714) is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one is Cc1cncn(CC2CCN(C3CCCC3)CC2)c1=O.
What is the InChIKey of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one?
The InChIKey is CZFHIIADDAAYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-10-17-12-19(16(13)20)11-14-6-8-18(9-7-14)15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3.
What are the key properties of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one?
3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).