(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide

C24H28N4O2+2 — CID 2461981

IUPAC(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3cccc[nH+]3)CC2)c1
InChIInChI=1S/C24H26N4O2/c1-30-21-11-7-10-20(18-21)26-24(29)23(19-8-3-2-4-9-19)28-16-14-27(15-17-28)22-12-5-6-13-25-22/h2-13,18,23H,14-17H2,1H3,(H,26,29)/p+2/t23-/m1/s1
InChIKeyWFEOFCGAGGZJAP-HSZRJFAPSA-P
MW404.51 g/mol
LogP1.59
Rot. Bonds6

About (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide

(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide (PubChem CID 2461981) has the molecular formula C24H28N4O2+2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
PubChem CID2461981
Molecular FormulaC24H28N4O2+2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3cccc[nH+]3)CC2)c1
InChIInChI=1S/C24H26N4O2/c1-30-21-11-7-10-20(18-21)26-24(29)23(19-8-3-2-4-9-19)28-16-14-27(15-17-28)22-12-5-6-13-25-22/h2-13,18,23H,14-17H2,1H3,(H,26,29)/p+2/t23-/m1/s1
InChIKeyWFEOFCGAGGZJAP-HSZRJFAPSA-P
XLogP1.59
TPSA60.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 8726382
(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 2474003
(2S)-N-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide
CID 9288296
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium
CID 8556530
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9446138
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 41000605
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 2448804
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 98413074
(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide
CID 25362284
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide (CID 2461981) is (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide is COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3cccc[nH+]3)CC2)c1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is WFEOFCGAGGZJAP-HSZRJFAPSA-P. The full InChI is InChI=1S/C24H26N4O2/c1-30-21-11-7-10-20(18-21)26-24(29)23(19-8-3-2-4-9-19)28-16-14-27(15-17-28)22-12-5-6-13-25-22/h2-13,18,23H,14-17H2,1H3,(H,26,29)/p+2/t23-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
(2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2461981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).