3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

C16H25N3O2 — CID 126940982

IUPAC3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCC3O)CC2)c1=O
InChIInChI=1S/C16H25N3O2/c1-12-9-17-11-19(16(12)21)10-13-5-7-18(8-6-13)14-3-2-4-15(14)20/h9,11,13-15,20H,2-8,10H2,1H3
InChIKeyXHHJBHBZFGJVST-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.18
Rot. Bonds3

About 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940982) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940982
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCC3O)CC2)c1=O
InChIInChI=1S/C16H25N3O2/c1-12-9-17-11-19(16(12)21)10-13-5-7-18(8-6-13)14-3-2-4-15(14)20/h9,11,13-15,20H,2-8,10H2,1H3
InChIKeyXHHJBHBZFGJVST-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940982) is 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is Cc1cncn(CC2CCN(C3CCCC3O)CC2)c1=O.
What is the InChIKey of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is XHHJBHBZFGJVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-9-17-11-19(16(12)21)10-13-5-7-18(8-6-13)14-3-2-4-15(14)20/h9,11,13-15,20H,2-8,10H2,1H3.
What are the key properties of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).