5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid

C13H22N2O3 — CID 122123028

IUPAC5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-8-4-11(5-8)14-13(18)15-6-9(2)3-10(7-15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXHTKLWVZRYMISU-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.54
Rot. Bonds2

About 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123028) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122123028
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-8-4-11(5-8)14-13(18)15-6-9(2)3-10(7-15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXHTKLWVZRYMISU-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
CID 114548926
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123979
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211
5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122869
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123402
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid (CID 122123028) is 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)C1.
What is the InChIKey of 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XHTKLWVZRYMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-4-11(5-8)14-13(18)15-6-9(2)3-10(7-15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).