6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one

C13H19N3O — CID 30322936

IUPAC6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C13H19N3O/c1-3-7-16-12(17)10-11(2)14-13(16)15-8-5-4-6-9-15/h3,10H,1,4-9H2,2H3
InChIKeyQGPNFIDKYVRAIS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.73
Rot. Bonds3

About 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one

6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one (PubChem CID 30322936) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
PubChem CID30322936
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C13H19N3O/c1-3-7-16-12(17)10-11(2)14-13(16)15-8-5-4-6-9-15/h3,10H,1,4-9H2,2H3
InChIKeyQGPNFIDKYVRAIS-UHFFFAOYSA-N
XLogP1.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate
CID 30324784
6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
CID 30322612
6-methyl-3-[(4-nitrophenyl)methyl]-2-piperidin-1-ylpyrimidin-4-one
CID 30322637
5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole
CID 21495232
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
3-[(4-methyl-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl)methyl]benzonitrile
CID 53201042
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
CID 53201041
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 20524649

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one (CID 30322936) is 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(N2CCCCC2)nc(C)cc1=O.
What is the InChIKey of 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is QGPNFIDKYVRAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-7-16-12(17)10-11(2)14-13(16)15-8-5-4-6-9-15/h3,10H,1,4-9H2,2H3.
What are the key properties of 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one?
6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 30322936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).