4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid

C13H23NO3 — CID 62090557

IUPAC4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC(C)(C)C1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)10-6-8-14(9-7-10)11(15)4-5-12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyCICRDSRECIJFSI-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds3

About 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid

4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 62090557) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID62090557
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC(C)(C)C1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)10-6-8-14(9-7-10)11(15)4-5-12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyCICRDSRECIJFSI-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

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
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
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
1-Cyclopentanecarbonyl-4-methyl-piperidine-4-carboxylic acid
CID 63123243

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid (CID 62090557) is 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid is CC(C)(C)C1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is CICRDSRECIJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)10-6-8-14(9-7-10)11(15)4-5-12(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid?
4-(4-tert-butylpiperidin-1-yl)-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-(4-tert-butylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 62090557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).