4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H17N3O2 — CID 136973338

IUPAC4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCCC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8(2)12-13-10(6-11(17)14-12)15-5-3-4-9(16)7-15/h6,8H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyZJHMLMDSFNKDRM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds2

About 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973338) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973338
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCCC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8(2)12-13-10(6-11(17)14-12)15-5-3-4-9(16)7-15/h6,8H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyZJHMLMDSFNKDRM-UHFFFAOYSA-N
XLogP1.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-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

1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136834832
4-Hydroxy-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine
CID 136920466
4-Hydroxy-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 136920467
4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957350
4-(4-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957693
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 136957722
4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973275
2-methyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973277
2-ethyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973278
2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973283
4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973285
4-(3-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973287

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973338) is 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCCC(=O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZJHMLMDSFNKDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)12-13-10(6-11(17)14-12)15-5-3-4-9(16)7-15/h6,8H,3-5,7H2,1-2H3,(H,13,14,17).
What are the key properties of 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).