(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

C25H27ClN3O2+ — CID 2549165

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-13-12-20(18-22(23)26)27-25(30)24(19-8-4-2-5-9-19)29-16-14-28(15-17-29)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)/p+1/t24-/m1/s1
InChIKeyRQMRJSFVRKQMEB-XMMPIXPASA-O
MW436.96 g/mol
LogP3.43
Rot. Bonds6

About (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 2549165) has the molecular formula C25H27ClN3O2+ and a molecular weight of 436.96 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID2549165
Molecular FormulaC25H27ClN3O2+
Molecular Weight436.96 g/mol
Exact Mass436.18
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-13-12-20(18-22(23)26)27-25(30)24(19-8-4-2-5-9-19)29-16-14-28(15-17-29)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)/p+1/t24-/m1/s1
InChIKeyRQMRJSFVRKQMEB-XMMPIXPASA-O
XLogP3.43
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide 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-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 2448804
N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 4986317
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 2461981
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
(2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460498
(2R)-2-(azepan-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9249933
(2S)-N-(3-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 8726382
(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250159
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 2549165) is (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is RQMRJSFVRKQMEB-XMMPIXPASA-O. The full InChI is InChI=1S/C25H26ClN3O2/c1-31-23-13-12-20(18-22(23)26)27-25(30)24(19-8-4-2-5-9-19)29-16-14-28(15-17-29)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)/p+1/t24-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 436.96 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 (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2549165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).