5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid

C16H22N4O4 — CID 122122165

IUPAC5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCNC(=O)c2cccnc2)C1
InChIInChI=1S/C16H22N4O4/c1-11-7-13(15(22)23)10-20(9-11)16(24)19-6-5-18-14(21)12-3-2-4-17-8-12/h2-4,8,11,13H,5-7,9-10H2,1H3,(H,18,21)(H,19,24)(H,22,23)
InChIKeyDBNJSXUHMBPAJB-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.56
Rot. Bonds5

About 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122165) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122122165
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCNC(=O)c2cccnc2)C1
InChIInChI=1S/C16H22N4O4/c1-11-7-13(15(22)23)10-20(9-11)16(24)19-6-5-18-14(21)12-3-2-4-17-8-12/h2-4,8,11,13H,5-7,9-10H2,1H3,(H,18,21)(H,19,24)(H,22,23)
InChIKeyDBNJSXUHMBPAJB-UHFFFAOYSA-N
XLogP0.56
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 124595352
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
1-[[3-(ethylcarbamoyl)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122290
1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123341
5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103026
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
5-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122079
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122122165) is 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCCNC(=O)c2cccnc2)C1.
What is the InChIKey of 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DBNJSXUHMBPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-11-7-13(15(22)23)10-20(9-11)16(24)19-6-5-18-14(21)12-3-2-4-17-8-12/h2-4,8,11,13H,5-7,9-10H2,1H3,(H,18,21)(H,19,24)(H,22,23).
What are the key properties of 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).