5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid

C13H24N2O3 — CID 122121872

IUPAC5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(C)C(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-8(2)10(4)14-13(18)15-6-9(3)5-11(7-15)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyUDDALTFKZBCSCP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.78
Rot. Bonds3

About 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid

5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122121872) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122121872
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(C)C(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-8(2)10(4)14-13(18)15-6-9(3)5-11(7-15)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyUDDALTFKZBCSCP-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(1,1,1-trifluoropropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122103139
1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
5-methyl-1-[(5-oxo-5-propan-2-yloxypentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123680
5-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102931
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
1-[[1-(2-chlorophenyl)-1-methoxypropan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123510
5-methyl-1-[(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102824
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
1-[1-(2-bromophenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121905
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167134951
2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 4976371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 122121872) is 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC(C)C(C)C)C1.
What is the InChIKey of 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is UDDALTFKZBCSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)10(4)14-13(18)15-6-9(3)5-11(7-15)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122121872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).