1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H24N2O5 — CID 122123341

IUPAC1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC(=O)c1cccc(CCNC(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C18H24N2O5/c1-12-8-15(16(21)22)11-20(10-12)18(24)19-7-6-13-4-3-5-14(9-13)17(23)25-2/h3-5,9,12,15H,6-8,10-11H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyYFXPMNZRSZKTQD-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123341) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123341
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC(=O)c1cccc(CCNC(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C18H24N2O5/c1-12-8-15(16(21)22)11-20(10-12)18(24)19-7-6-13-4-3-5-14(9-13)17(23)25-2/h3-5,9,12,15H,6-8,10-11H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyYFXPMNZRSZKTQD-UHFFFAOYSA-N
XLogP1.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[2-(2-methoxy-4-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123971
1-[[3-(ethylcarbamoyl)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122290
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
3-[2-[(4-methylpiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63795102
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
1-[(2-fluoro-4-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102337
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165
1-[2-(3-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007190
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694
1-[[3-(2,2-difluoroethoxy)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123341) is 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is COC(=O)c1cccc(CCNC(=O)N2CC(C)CC(C(=O)O)C2)c1.
What is the InChIKey of 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is YFXPMNZRSZKTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12-8-15(16(21)22)11-20(10-12)18(24)19-7-6-13-4-3-5-14(9-13)17(23)25-2/h3-5,9,12,15H,6-8,10-11H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).