1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C14H26N2O4 — CID 114425841

IUPAC1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCOCCN(C(=O)N1CCC(C)CC1C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)15(7-8-20-4)14(19)16-6-5-11(3)9-12(16)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyBLLQHSQGVKJTQI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.65
Rot. Bonds5

About 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425841) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425841
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCOCCN(C(=O)N1CCC(C)CC1C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)15(7-8-20-4)14(19)16-6-5-11(3)9-12(16)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyBLLQHSQGVKJTQI-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-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

4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 114425456
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425523
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425451
1-[2-methoxyethyl(pentan-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377381
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
1-[2-cyanoethyl(propan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430303
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425406
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61428576
4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425707

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425841) is 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is COCCN(C(=O)N1CCC(C)CC1C(=O)O)C(C)C.
What is the InChIKey of 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is BLLQHSQGVKJTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)15(7-8-20-4)14(19)16-6-5-11(3)9-12(16)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).