5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid

C16H30N2O3 — CID 122123942

IUPAC5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-11-7-12(13(19)20)9-18(8-11)14(21)17-10-16(5,6)15(2,3)4/h11-12H,7-10H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyHLKVANSRPOPLRT-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.81
Rot. Bonds3

About 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid

5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122123942) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122123942
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-11-7-12(13(19)20)9-18(8-11)14(21)17-10-16(5,6)15(2,3)4/h11-12H,7-10H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyHLKVANSRPOPLRT-UHFFFAOYSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-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-[(3-cyano-2,2-dimethylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124130
1-[(2-methoxy-2-phenylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124047
1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
CID 79557763
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
1-[2-(ethylsulfonylamino)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122212
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852
5-methyl-1-[(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102824

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid (CID 122123942) is 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCC(C)(C)C(C)(C)C)C1.
What is the InChIKey of 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is HLKVANSRPOPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11-7-12(13(19)20)9-18(8-11)14(21)17-10-16(5,6)15(2,3)4/h11-12H,7-10H2,1-6H3,(H,17,21)(H,19,20).
What are the key properties of 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid?
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122123942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).