6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one

C18H23N3O — CID 30322612

IUPAC6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2)c(N2CCCCC2)n1
InChIInChI=1S/C18H23N3O/c1-15-14-17(22)21(13-10-16-8-4-2-5-9-16)18(19-15)20-11-6-3-7-12-20/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyYDAOEBCIJHLKKO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.78
Rot. Bonds4

About 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one

6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 30322612) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
PubChem CID30322612
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2)c(N2CCCCC2)n1
InChIInChI=1S/C18H23N3O/c1-15-14-17(22)21(13-10-16-8-4-2-5-9-16)18(19-15)20-11-6-3-7-12-20/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyYDAOEBCIJHLKKO-UHFFFAOYSA-N
XLogP2.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-(2-phenylethyl)-2-piperidin-1-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

Related Compounds

2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
CID 30322936
3-[(4-methyl-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl)methyl]benzonitrile
CID 53201042
1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione
CID 981029
6-methyl-3-[(4-nitrophenyl)methyl]-2-piperidin-1-ylpyrimidin-4-one
CID 30322637
methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate
CID 30324784
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475083
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
5,7-dimethyl-1-(2-phenylethyl)-1,8-naphthyridin-2-one
CID 139602583
1-(2-phenylethyl)-2-pyrrolidin-1-ylimidazole
CID 21495233
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one (CID 30322612) is 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one is Cc1cc(=O)n(CCc2ccccc2)c(N2CCCCC2)n1.
What is the InChIKey of 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is YDAOEBCIJHLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-14-17(22)21(13-10-16-8-4-2-5-9-16)18(19-15)20-11-6-3-7-12-20/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3.
What are the key properties of 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one?
6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 297.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 30322612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).