4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid

C22H26N2O4 — CID 22240842

IUPAC4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCOc1ccccc1C(=O)NCC1(Cc2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C22H26N2O4/c1-28-19-10-6-5-9-18(19)20(25)23-16-22(15-17-7-3-2-4-8-17)11-13-24(14-12-22)21(26)27/h2-10H,11-16H2,1H3,(H,23,25)(H,26,27)
InChIKeyCHBKFLFSTHWZCT-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.43
Rot. Bonds6

About 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid

4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 22240842) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID22240842
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCOc1ccccc1C(=O)NCC1(Cc2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C22H26N2O4/c1-28-19-10-6-5-9-18(19)20(25)23-16-22(15-17-7-3-2-4-8-17)11-13-24(14-12-22)21(26)27/h2-10H,11-16H2,1H3,(H,23,25)(H,26,27)
InChIKeyCHBKFLFSTHWZCT-UHFFFAOYSA-N
XLogP3.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid (CID 22240842) is 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid is COc1ccccc1C(=O)NCC1(Cc2ccccc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is CHBKFLFSTHWZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-28-19-10-6-5-9-18(19)20(25)23-16-22(15-17-7-3-2-4-8-17)11-13-24(14-12-22)21(26)27/h2-10H,11-16H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid?
4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22240842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).