N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

C19H20N4O5 — CID 108532358

IUPACN-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N4O5/c1-28-17-8-7-15(23(26)27)13-16(17)20-18(24)19(25)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,24)
InChIKeyYKBAJBMHZYHRFY-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.89
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 108532358) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID108532358
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N4O5/c1-28-17-8-7-15(23(26)27)13-16(17)20-18(24)19(25)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,24)
InChIKeyYKBAJBMHZYHRFY-UHFFFAOYSA-N
XLogP1.89
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513047
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 51167725
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide
CID 108522934
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2958014
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269
N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3871737
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4155913
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2368536

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (CID 108532358) is N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is YKBAJBMHZYHRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-28-17-8-7-15(23(26)27)13-16(17)20-18(24)19(25)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,24).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 384.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108532358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).