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

C13H24N2O4 — CID 63135648

IUPAC1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOCCCNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-19-9-5-7-14-12(18)15-8-4-6-13(2,10-15)11(16)17/h3-10H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMDFNLHMRUQOUAF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds6

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

1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63135648) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63135648
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOCCCNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-19-9-5-7-14-12(18)15-8-4-6-13(2,10-15)11(16)17/h3-10H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMDFNLHMRUQOUAF-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(3-propoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 82944645
1-N-(3-ethoxypropyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53011210
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137282
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113477916
1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid
CID 65180438
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (CID 63135648) is 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is CCOCCCNC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is MDFNLHMRUQOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-19-9-5-7-14-12(18)15-8-4-6-13(2,10-15)11(16)17/h3-10H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).