1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid

C22H26N2O3 — CID 69260657

IUPAC1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid
SMILESCN(CCc1ccccc1)C(=O)N1CC(C(=O)O)CC(c2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-23(13-12-17-8-4-2-5-9-17)22(27)24-15-19(14-20(16-24)21(25)26)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,26)
InChIKeyOBFZCIFBHUIAGB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.47
Rot. Bonds5

About 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid

1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid (PubChem CID 69260657) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid
PubChem CID69260657
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid
SMILESCN(CCc1ccccc1)C(=O)N1CC(C(=O)O)CC(c2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-23(13-12-17-8-4-2-5-9-17)22(27)24-15-19(14-20(16-24)21(25)26)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,26)
InChIKeyOBFZCIFBHUIAGB-UHFFFAOYSA-N
XLogP3.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 65487736
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid
CID 42869303
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117056
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid
CID 166263459
1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
5-[4-(2,2-difluoroethyl)phenyl]-1-propanoylpiperidine-3-carboxylic acid
CID 68761386
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid (CID 69260657) is 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid is CN(CCc1ccccc1)C(=O)N1CC(C(=O)O)CC(c2ccccc2)C1.
What is the InChIKey of 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid?
The InChIKey is OBFZCIFBHUIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-23(13-12-17-8-4-2-5-9-17)22(27)24-15-19(14-20(16-24)21(25)26)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,26).
What are the key properties of 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid?
1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 69260657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).