2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide

C19H20N4O5 — CID 55413269

IUPAC2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20N4O5/c20-19(25)14-5-1-4-8-17(14)28-13-18(24)22-11-9-21(10-12-22)15-6-2-3-7-16(15)23(26)27/h1-8H,9-13H2,(H2,20,25)
InChIKeyKPDNLMCFDJBPCM-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide

2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 55413269) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
PubChem CID55413269
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20N4O5/c20-19(25)14-5-1-4-8-17(14)28-13-18(24)22-11-9-21(10-12-22)15-6-2-3-7-16(15)23(26)27/h1-8H,9-13H2,(H2,20,25)
InChIKeyKPDNLMCFDJBPCM-UHFFFAOYSA-N
XLogP1.42
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide 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

2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 27825590
2-(2-bromo-4-fluorophenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 34890586
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(4-phenoxyphenoxy)ethanone
CID 26023012
2-(3,4-dimethylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825521
2-(3-methylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825511
1-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897377
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 38390679
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 26556011
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 41162792
2-(2-methoxyphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 30731868
methyl (E)-3-[3-methoxy-4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]prop-2-enoate
CID 36928018
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 134020517

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide (CID 55413269) is 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is KPDNLMCFDJBPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c20-19(25)14-5-1-4-8-17(14)28-13-18(24)22-11-9-21(10-12-22)15-6-2-3-7-16(15)23(26)27/h1-8H,9-13H2,(H2,20,25).
What are the key properties of 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 384.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 55413269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).