1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C13H24N2O4 — CID 122122852

IUPAC1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCC(C)CNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-9-4-11(12(16)17)7-15(6-9)13(18)14-5-10(2)8-19-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyHAVXQRSAHXPKDT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.02
Rot. Bonds5

About 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122852) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122122852
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCC(C)CNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-9-4-11(12(16)17)7-15(6-9)13(18)14-5-10(2)8-19-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyHAVXQRSAHXPKDT-UHFFFAOYSA-N
XLogP1.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122171
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122962
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
1-[(3-ethoxy-4-methylpentyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123015
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122170
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122282
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122122852) is 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is COCC(C)CNC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is HAVXQRSAHXPKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-4-11(12(16)17)7-15(6-9)13(18)14-5-10(2)8-19-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).