1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

C14H26N2O4 — CID 122122316

IUPAC1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCCOCCCCNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-3-20-7-5-4-6-15-14(19)16-9-11(2)8-12(10-16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCVSLFLCJZPYQOH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.56
Rot. Bonds7

About 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122316) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122122316
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCCOCCCCNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-3-20-7-5-4-6-15-14(19)16-9-11(2)8-12(10-16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCVSLFLCJZPYQOH-UHFFFAOYSA-N
XLogP1.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.56
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

1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122282
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
1-[4-(4-fluorophenoxy)butylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122228
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
1-[(3-ethoxy-4-methylpentyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123015
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122172
1-[2-(ethylsulfonylamino)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122212
5-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123623
1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122853

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (CID 122122316) is 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is CCOCCCCNC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is CVSLFLCJZPYQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-20-7-5-4-6-15-14(19)16-9-11(2)8-12(10-16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).