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

C18H19N3O4 — CID 806461

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-17-8-6-15(7-9-17)19-10-12-20(13-11-19)18(22)14-2-4-16(5-3-14)21(23)24/h2-9H,10-13H2,1H3
InChIKeyCVFWWDDKVVQXAF-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.57
Rot. Bonds4

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

[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 806461) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
PubChem CID806461
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-17-8-6-15(7-9-17)19-10-12-20(13-11-19)18(22)14-2-4-16(5-3-14)21(23)24/h2-9H,10-13H2,1H3
InChIKeyCVFWWDDKVVQXAF-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_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
[4-(4-nitrophenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 2890000
(4-butoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4032993
[4-(4-fluorophenoxy)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 16568601
(4-tert-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2866141
3-methoxybenzoic acid;(3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 17368444
2-(4-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2839448
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone
CID 2452057
(2,6-dimethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3777352
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone
CID 7568237

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone (CID 806461) is [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone is COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is CVFWWDDKVVQXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-17-8-6-15(7-9-17)19-10-12-20(13-11-19)18(22)14-2-4-16(5-3-14)21(23)24/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)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 [4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 806461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).