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

C12H17N3O2 — CID 136973305

IUPAC4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-5-3-4-6-15(10)11-7-12(17)14-9(2)13-11/h7,10H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyYLICBBMBKOJVBW-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.03
Rot. Bonds2

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

4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136973305) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136973305
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-5-3-4-6-15(10)11-7-12(17)14-9(2)13-11/h7,10H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyYLICBBMBKOJVBW-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957093
2-methyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973277
4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973302
4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973303
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306
4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973320
2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973321
2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973322
2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973327
4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973338
2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973340
2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973341

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136973305) is 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is CC(=O)C1CCCCN1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YLICBBMBKOJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)10-5-3-4-6-15(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-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).