2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid

C13H23NO3 — CID 66755801

IUPAC2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid
SMILESCC(C)C1(C(C)(C)C)CC(=O)CCN1C(=O)O
InChIInChI=1S/C13H23NO3/c1-9(2)13(12(3,4)5)8-10(15)6-7-14(13)11(16)17/h9H,6-8H2,1-5H3,(H,16,17)
InChIKeyHNGONKNMHXPVRQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.77
Rot. Bonds1

About 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid

2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid (PubChem CID 66755801) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid
PubChem CID66755801
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid
SMILESCC(C)C1(C(C)(C)C)CC(=O)CCN1C(=O)O
InChIInChI=1S/C13H23NO3/c1-9(2)13(12(3,4)5)8-10(15)6-7-14(13)11(16)17/h9H,6-8H2,1-5H3,(H,16,17)
InChIKeyHNGONKNMHXPVRQ-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic 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

2-Tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid
CID 66790792
2-Tert-butyl-5-fluoro-3,3-dimethyl-4-oxopiperidine-1-carboxylic acid
CID 118661787
(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid
CID 156514321
3-Acetylpiperidine-1-carboxylic acid
CID 21076156
2-Tert-butyl-4-oxopiperidine-1-carboxylic acid
CID 54554760
1,3-Ditert-butylpiperidine-2,4-dione
CID 59066320
1-[(3R,4S)-1-tert-butyl-4-methylpiperidin-3-yl]-2,2-dimethylpropan-1-one
CID 60073658
2-Tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid
CID 66598508
2-Butyl-2-tert-butyl-4-oxopiperidine-1-carboxylic acid
CID 66755540
2-Tert-butyl-2-methyl-4-oxopiperidine-1-carboxylic acid
CID 66755632
4-Cyclohexyl-4-propanoylpiperidine-1-carboxylic acid
CID 66988173
2-Tert-butyl-2,3-dimethyl-4-oxopiperidine-1-carboxylic acid
CID 67113594

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid (CID 66755801) is 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid is CC(C)C1(C(C)(C)C)CC(=O)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid?
The InChIKey is HNGONKNMHXPVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)13(12(3,4)5)8-10(15)6-7-14(13)11(16)17/h9H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid?
2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 66755801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).