(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide

C19H22N3O3+ — CID 2474003

IUPAC(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCNC(=O)C2)c1
InChIInChI=1S/C19H21N3O3/c1-25-16-9-5-8-15(12-16)21-19(24)18(14-6-3-2-4-7-14)22-11-10-20-17(23)13-22/h2-9,12,18H,10-11,13H2,1H3,(H,20,23)(H,21,24)/p+1/t18-/m1/s1
InChIKeyCJJIKMZBCPHUAA-GOSISDBHSA-O
MW340.40 g/mol
LogP0.39
Rot. Bonds5

About (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide

(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide (PubChem CID 2474003) has the molecular formula C19H22N3O3+ and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
PubChem CID2474003
Molecular FormulaC19H22N3O3+
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCNC(=O)C2)c1
InChIInChI=1S/C19H21N3O3/c1-25-16-9-5-8-15(12-16)21-19(24)18(14-6-3-2-4-7-14)22-11-10-20-17(23)13-22/h2-9,12,18H,10-11,13H2,1H3,(H,20,23)(H,21,24)/p+1/t18-/m1/s1
InChIKeyCJJIKMZBCPHUAA-GOSISDBHSA-O
XLogP0.39
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 2461981
(2S)-N-(3-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 8726382
(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 9042971
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide
CID 8516516
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide (CID 2474003) is (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide is COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCNC(=O)C2)c1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
The InChIKey is CJJIKMZBCPHUAA-GOSISDBHSA-O. The full InChI is InChI=1S/C19H21N3O3/c1-25-16-9-5-8-15(12-16)21-19(24)18(14-6-3-2-4-7-14)22-11-10-20-17(23)13-22/h2-9,12,18H,10-11,13H2,1H3,(H,20,23)(H,21,24)/p+1/t18-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide has a molecular weight of 340.40 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide is sourced from PubChem (CID 2474003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).