(2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

C18H19N3O4 — CID 2889389

IUPAC(2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H19N3O4/c1-25-17-5-3-2-4-16(17)18(22)20-12-10-19(11-13-20)14-6-8-15(9-7-14)21(23)24/h2-9H,10-13H2,1H3
InChIKeyXMFFZHHWNRXFDP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.57
Rot. Bonds4

About (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 2889389) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
PubChem CID2889389
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H19N3O4/c1-25-17-5-3-2-4-16(17)18(22)20-12-10-19(11-13-20)14-6-8-15(9-7-14)21(23)24/h2-9H,10-13H2,1H3
InChIKeyXMFFZHHWNRXFDP-UHFFFAOYSA-N
XLogP2.57
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CID 2889389) is (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is XMFFZHHWNRXFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-17-5-3-2-4-16(17)18(22)20-12-10-19(11-13-20)14-6-8-15(9-7-14)21(23)24/h2-9H,10-13H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 341.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2889389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).