2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide

C20H24N4O4 — CID 120753144

IUPAC2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H24N4O4/c1-22(15-7-9-16(10-8-15)24(26)27)20(25)14-23-12-11-21-13-18(23)17-5-3-4-6-19(17)28-2/h3-10,18,21H,11-14H2,1-2H3
InChIKeyZPRSGERWJDHQJX-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.21
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide (PubChem CID 120753144) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
PubChem CID120753144
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H24N4O4/c1-22(15-7-9-16(10-8-15)24(26)27)20(25)14-23-12-11-21-13-18(23)17-5-3-4-6-19(17)28-2/h3-10,18,21H,11-14H2,1-2H3
InChIKeyZPRSGERWJDHQJX-UHFFFAOYSA-N
XLogP2.21
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.21
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'}

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Related Compounds

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 120770707
1-[(2-methoxy-5-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753678
1-[(2-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767488
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride
CID 120753973
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735242
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120753922
(3-chloro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733816
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735241
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120767435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide (CID 120753144) is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide is COc1ccccc1C1CNCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The InChIKey is ZPRSGERWJDHQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-22(15-7-9-16(10-8-15)24(26)27)20(25)14-23-12-11-21-13-18(23)17-5-3-4-6-19(17)28-2/h3-10,18,21H,11-14H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 120753144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).