2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid

C12H17N3O3 — CID 10933959

IUPAC2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-9-7-10(16)15(8-11(17)18)12(13-9)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,17,18)
InChIKeyHXPQESQBBMFSCK-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.63
Rot. Bonds3

About 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid

2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid (PubChem CID 10933959) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
PubChem CID10933959
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-9-7-10(16)15(8-11(17)18)12(13-9)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,17,18)
InChIKeyHXPQESQBBMFSCK-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate
CID 30324784
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
CID 30322936
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
CID 30322612
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691
6-methyl-3-[(4-nitrophenyl)methyl]-2-piperidin-1-ylpyrimidin-4-one
CID 30322637
2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91903937
2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid
CID 83972340
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid (CID 10933959) is 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid is Cc1cc(=O)n(CC(=O)O)c(N2CCCCC2)n1.
What is the InChIKey of 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid?
The InChIKey is HXPQESQBBMFSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-7-10(16)15(8-11(17)18)12(13-9)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid?
2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid is sourced from PubChem (CID 10933959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).