1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

C14H26N2O4 — CID 104598283

IUPAC1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCCC(COC)NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-7-11(10-20-3)15-13(19)16-9-6-5-8-14(16,2)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLJIYLDXNYBQSFF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds6

About 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598283) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104598283
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCCC(COC)NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-7-11(10-20-3)15-13(19)16-9-6-5-8-14(16,2)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLJIYLDXNYBQSFF-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxypentan-2-ylcarbamoyl)-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

N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
CID 116656284
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598318
1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598114
2-methyl-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 113472972
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
CID 82985562

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (CID 104598283) is 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is CCCC(COC)NC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is LJIYLDXNYBQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-7-11(10-20-3)15-13(19)16-9-6-5-8-14(16,2)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).