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

C17H25N3O2 — CID 126940585

IUPAC3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CCCC3)CC2)c1=O
InChIInChI=1S/C17H25N3O2/c1-13-10-18-12-20(16(13)21)11-14-6-8-19(9-7-14)17(22)15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3
InChIKeyWPWNQERPTBDAFR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.98
Rot. Bonds3

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

3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940585) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940585
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CCCC3)CC2)c1=O
InChIInChI=1S/C17H25N3O2/c1-13-10-18-12-20(16(13)21)11-14-6-8-19(9-7-14)17(22)15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3
InChIKeyWPWNQERPTBDAFR-UHFFFAOYSA-N
XLogP1.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940585) is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is Cc1cncn(CC2CCN(C(=O)C3CCCC3)CC2)c1=O.
What is the InChIKey of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is WPWNQERPTBDAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-10-18-12-20(16(13)21)11-14-6-8-19(9-7-14)17(22)15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3.
What are the key properties of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 303.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).