1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid

C13H24N2O4 — CID 113477916

IUPAC1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-4-19-10(2)8-14-12(18)15-7-5-6-13(3,9-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPRFDCDMNSBTPJC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds5

About 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid

1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 113477916) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID113477916
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-4-19-10(2)8-14-12(18)15-7-5-6-13(3,9-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPRFDCDMNSBTPJC-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136898
N-(2-ethoxypropyl)-4-methylpiperidine-1-carboxamide
CID 115667465
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256934
3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (CID 113477916) is 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is CCOC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is PRFDCDMNSBTPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-19-10(2)8-14-12(18)15-7-5-6-13(3,9-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 113477916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).