3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C18H29N3O2 — CID 126942408

IUPAC3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C3CCCC3O)CC2)cn1
InChIInChI=1S/C18H29N3O2/c1-13(2)15-10-18(23)21(12-19-15)11-14-6-8-20(9-7-14)16-4-3-5-17(16)22/h10,12-14,16-17,22H,3-9,11H2,1-2H3
InChIKeyJXTOMIOSEVZEOK-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.99
Rot. Bonds4

About 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942408) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942408
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C3CCCC3O)CC2)cn1
InChIInChI=1S/C18H29N3O2/c1-13(2)15-10-18(23)21(12-19-15)11-14-6-8-20(9-7-14)16-4-3-5-17(16)22/h10,12-14,16-17,22H,3-9,11H2,1-2H3
InChIKeyJXTOMIOSEVZEOK-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942408) is 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(C3CCCC3O)CC2)cn1.
What is the InChIKey of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is JXTOMIOSEVZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)15-10-18(23)21(12-19-15)11-14-6-8-20(9-7-14)16-4-3-5-17(16)22/h10,12-14,16-17,22H,3-9,11H2,1-2H3.
What are the key properties of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 319.45 g/mol, XLogP of 1.99, 4 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]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).