5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid

C16H22N2O3 — CID 122121841

IUPAC5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-12-9-14(15(19)20)11-18(10-12)16(21)17-8-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyZNROAVPTNRDZRM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds4

About 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid

5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122121841) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122121841
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-12-9-14(15(19)20)11-18(10-12)16(21)17-8-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyZNROAVPTNRDZRM-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123341
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410
1-[(1-benzylpiperidin-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122513
5-methyl-1-[[2-(2-phenylethyl)pyrazol-3-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123107
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
5-methyl-1-[(2-methyl-1,3-dihydroinden-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123345
5-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122695

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid (CID 122121841) is 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is ZNROAVPTNRDZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-9-14(15(19)20)11-18(10-12)16(21)17-8-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid?
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122121841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).