1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid

C23H26N2O4 — CID 122119404

IUPAC1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H26N2O4/c1-16-12-19(23(28)29)15-25(14-16)21(26)13-20(17-8-4-2-5-9-17)24-22(27)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,24,27)(H,28,29)
InChIKeyLVEFOKWCDFQLBU-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.12
Rot. Bonds6

About 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid

1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119404) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122119404
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H26N2O4/c1-16-12-19(23(28)29)15-25(14-16)21(26)13-20(17-8-4-2-5-9-17)24-22(27)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,24,27)(H,28,29)
InChIKeyLVEFOKWCDFQLBU-UHFFFAOYSA-N
XLogP3.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122119953
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 26009471

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid (CID 122119404) is 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LVEFOKWCDFQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-12-19(23(28)29)15-25(14-16)21(26)13-20(17-8-4-2-5-9-17)24-22(27)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid?
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).