1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid

C22H24N2O4 — CID 122119953

IUPAC1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-15-12-18(22(27)28)14-24(13-15)21(26)19(16-8-4-2-5-9-16)23-20(25)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyWGEJOMJDWQBSRN-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.73
Rot. Bonds5

About 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid

1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119953) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122119953
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-15-12-18(22(27)28)14-24(13-15)21(26)19(16-8-4-2-5-9-16)23-20(25)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyWGEJOMJDWQBSRN-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 22665693

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid (CID 122119953) is 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)C(NC(=O)c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is WGEJOMJDWQBSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-12-18(22(27)28)14-24(13-15)21(26)19(16-8-4-2-5-9-16)23-20(25)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,23,25)(H,27,28).
What are the key properties of 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid?
1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).