4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid

C11H19NO3 — CID 3385344

IUPAC4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CC(C)CN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-8-5-9(2)7-12(6-8)10(13)3-4-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyISFAAXAYRTWLHT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds3

About 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid

4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 3385344) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID3385344
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CC(C)CN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-8-5-9(2)7-12(6-8)10(13)3-4-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyISFAAXAYRTWLHT-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008
1-[4-[Acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid
CID 14896511
4-Oxo-4-(piperidin-1-yl)butanoic acid
CID 792860
1-(Cyclopropylcarbonyl)piperidine-4-carboxylic acid
CID 8902915
1-Propylpiperidine-4-carboxylic acid
CID 16228244
4-(4-Carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid (CID 3385344) is 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid is CC1CC(C)CN(C(=O)CCC(=O)O)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is ISFAAXAYRTWLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-5-9(2)7-12(6-8)10(13)3-4-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 3385344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).