4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C12H17N3O2 — CID 136973296

IUPAC4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-3-5-15(6-4-10)11-7-12(17)14-9(2)13-11/h7,10H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyHUYDJQHYMANBTD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.88
Rot. Bonds2

About 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136973296) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136973296
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-3-5-15(6-4-10)11-7-12(17)14-9(2)13-11/h7,10H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyHUYDJQHYMANBTD-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-acetylpiperidin-1-yl)-2-methyl-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

2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
1-(4-Amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxamide
CID 135646539
4-(dimethylamino)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136314513
4-(dimethylamino)-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 136345067
2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136557609
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687971
2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731875
2-cyclopropyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731877
2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731879

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136973296) is 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is CC(=O)C1CCN(c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HUYDJQHYMANBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)10-3-5-15(6-4-10)11-7-12(17)14-9(2)13-11/h7,10H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).