4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid

C13H23NO3 — CID 65300164

IUPAC4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC1(C)CCCN(C(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-12(2)6-5-7-14(9-12)10(15)8-13(3,4)11(16)17/h5-9H2,1-4H3,(H,16,17)
InChIKeyQOZKABMPYNCGPW-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds3

About 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid

4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65300164) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65300164
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC1(C)CCCN(C(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-12(2)6-5-7-14(9-12)10(15)8-13(3,4)11(16)17/h5-9H2,1-4H3,(H,16,17)
InChIKeyQOZKABMPYNCGPW-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-difluoropiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 116991467
4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65299813
2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 106317949
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 65297555
1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 115874379
4-(4,4-dimethylazepan-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 65283776
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115428947
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79811127
4-(3-hydroxy-3-propylazetidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 107214583
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-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid (CID 65300164) is 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid is CC1(C)CCCN(C(=O)CC(C)(C)C(=O)O)C1.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is QOZKABMPYNCGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)6-5-7-14(9-12)10(15)8-13(3,4)11(16)17/h5-9H2,1-4H3,(H,16,17).
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65300164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).