2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid

C14H25NO3 — CID 62303047

IUPAC2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCC(C)CC(C)N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C14H25NO3/c1-8(2)6-10(4)15-11(5)13(14(17)18)9(3)7-12(15)16/h8-11,13H,6-7H2,1-5H3,(H,17,18)
InChIKeyNVNHHNRXYSRZFT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds4

About 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid

2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 62303047) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID62303047
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCC(C)CC(C)N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C14H25NO3/c1-8(2)6-10(4)15-11(5)13(14(17)18)9(3)7-12(15)16/h8-11,13H,6-7H2,1-5H3,(H,17,18)
InChIKeyNVNHHNRXYSRZFT-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

Analyze 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-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

1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62303234
2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62303074
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylpropyl)piperidine-3-carboxylic acid
CID 62302255
2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302258
2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
CID 62302379
2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 62302716
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 55057746
1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62303080
1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
CID 62303069
1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 64916058

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid (CID 62303047) is 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid is CC(C)CC(C)N1C(=O)CC(C)C(C(=O)O)C1C.
What is the InChIKey of 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is NVNHHNRXYSRZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8(2)6-10(4)15-11(5)13(14(17)18)9(3)7-12(15)16/h8-11,13H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid?
2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic 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 2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62303047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).