4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid

C12H21NO4 — CID 65297955

IUPAC4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC1CCN(C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-12(2,11(15)16)8-10(14)13-6-4-9(17-3)5-7-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyLIOFQZFDTOSZQI-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds4

About 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid

4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65297955) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65297955
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC1CCN(C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-12(2,11(15)16)8-10(14)13-6-4-9(17-3)5-7-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyLIOFQZFDTOSZQI-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid 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

4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
4-(4-methoxycarbonylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297455
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
4-(3-tert-butylpyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 113417042
4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302523
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
CID 65299943
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
2,2-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 65302720
2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62820761
4-(3-methoxypyrrolidin-1-yl)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 103531272
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid
CID 65302612

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid (CID 65297955) is 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid is COC1CCN(C(=O)CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is LIOFQZFDTOSZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,11(15)16)8-10(14)13-6-4-9(17-3)5-7-13/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65297955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).