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

C14H25NO3 — CID 103498360

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
SMILESCCC1(C)CCN(C(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-5-14(4)6-8-15(9-7-14)12(16)10(2)11(3)13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyFUKZLISMWIJRIX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds4

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

4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498360) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498360
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
SMILESCCC1(C)CCN(C(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-5-14(4)6-8-15(9-7-14)12(16)10(2)11(3)13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyFUKZLISMWIJRIX-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
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
1-[(Tert-butoxy)carbonyl]-3,3-dimethylpiperidine-4-carboxylic acid
CID 84709133
1-[4-[Acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid
CID 14896511
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
4-(4-Carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
Methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate
CID 2903923
4-Methyl-1-(prop-2-ynoyl)piperidine-4-carboxylic acid
CID 63123116
Methyl 1-(2,2-dimethylbutanoyl)piperidine-4-carboxylate
CID 3961472

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid (CID 103498360) is 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid is CCC1(C)CCN(C(=O)C(C)C(C)C(=O)O)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is FUKZLISMWIJRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-14(4)6-8-15(9-7-14)12(16)10(2)11(3)13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid?
4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).