2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

C20H24N4O4 — CID 2978109

IUPAC2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O4/c1-28-17-7-8-18(19(13-17)24(26)27)21-20(25)15-23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,25)
InChIKeyKQZSIEHEKVDTNL-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.36
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 2978109) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID2978109
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O4/c1-28-17-7-8-18(19(13-17)24(26)27)21-20(25)15-23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,25)
InChIKeyKQZSIEHEKVDTNL-UHFFFAOYSA-N
XLogP2.36
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
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

2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4818554
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 82017375
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 55840918
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 40842332
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 55355582

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 2978109) is 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is KQZSIEHEKVDTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-28-17-7-8-18(19(13-17)24(26)27)21-20(25)15-23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 2978109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).