1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H33N3O3 — CID 122122172

IUPAC1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCCN(C)C2CCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-14-11-15(17(22)23)13-21(12-14)18(24)19-9-6-10-20(2)16-7-4-3-5-8-16/h14-16H,3-13H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyAWOVWCBBIKHQAN-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.39
Rot. Bonds6

About 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122172) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122122172
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCCN(C)C2CCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-14-11-15(17(22)23)13-21(12-14)18(24)19-9-6-10-20(2)16-7-4-3-5-8-16/h14-16H,3-13H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyAWOVWCBBIKHQAN-UHFFFAOYSA-N
XLogP2.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.39
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-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122282
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122853
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122122172) is 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCCCN(C)C2CCCCC2)C1.
What is the InChIKey of 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is AWOVWCBBIKHQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14-11-15(17(22)23)13-21(12-14)18(24)19-9-6-10-20(2)16-7-4-3-5-8-16/h14-16H,3-13H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 339.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).