2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide

C19H22N4O4 — CID 3212835

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C19H22N4O4/c1-27-16-6-4-5-15(13-16)22-11-9-21(10-12-22)14-19(24)20-17-7-2-3-8-18(17)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24)
InChIKeyVJKYCDRURHFRGS-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 3212835) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
PubChem CID3212835
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C19H22N4O4/c1-27-16-6-4-5-15(13-16)22-11-9-21(10-12-22)14-19(24)20-17-7-2-3-8-18(17)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24)
InChIKeyVJKYCDRURHFRGS-UHFFFAOYSA-N
XLogP2.36
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.36
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

N-(2-acetylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592653
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417268
N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4818554
2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2978109
1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 782035
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 55354434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide (CID 3212835) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide is COc1cccc(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
The InChIKey is VJKYCDRURHFRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-16-6-4-5-15(13-16)22-11-9-21(10-12-22)14-19(24)20-17-7-2-3-8-18(17)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3212835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).