1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid

C15H27NO3 — CID 115270714

IUPAC1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)CCCC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-14(2,3)9-7-8-12(17)16-11-6-5-10-15(16,4)13(18)19/h5-11H2,1-4H3,(H,18,19)
InChIKeyVSSYMVTZWMZQMU-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds4

About 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid

1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 115270714) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID115270714
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)CCCC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-14(2,3)9-7-8-12(17)16-11-6-5-10-15(16,4)13(18)19/h5-11H2,1-4H3,(H,18,19)
InChIKeyVSSYMVTZWMZQMU-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-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-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115270474
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104594955
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104594792
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid (CID 115270714) is 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid is CC(C)(C)CCCC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is VSSYMVTZWMZQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)9-7-8-12(17)16-11-6-5-10-15(16,4)13(18)19/h5-11H2,1-4H3,(H,18,19).
What are the key properties of 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid?
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 115270714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).