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

C18H18FN3O4 — CID 120735047

IUPAC(5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O4/c1-26-17-5-3-2-4-13(17)16-11-20-8-9-21(16)18(23)14-10-12(19)6-7-15(14)22(24)25/h2-7,10,16,20H,8-9,11H2,1H3
InChIKeyMOVKPACPNMIMMY-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.53
Rot. Bonds4

About (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

(5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120735047) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120735047
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name(5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O4/c1-26-17-5-3-2-4-13(17)16-11-20-8-9-21(16)18(23)14-10-12(19)6-7-15(14)22(24)25/h2-7,10,16,20H,8-9,11H2,1H3
InChIKeyMOVKPACPNMIMMY-UHFFFAOYSA-N
XLogP2.53
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)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

Related Compounds

(4-chloro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733046
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735242
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735241
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120733983
[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 120734776
(3-chloro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733816
(4-bromo-2-fluorophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735063
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(1,3-dimethyl-4-nitropyrazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734599

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120735047) is (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1C1CNCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is MOVKPACPNMIMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-26-17-5-3-2-4-13(17)16-11-20-8-9-21(16)18(23)14-10-12(19)6-7-15(14)22(24)25/h2-7,10,16,20H,8-9,11H2,1H3.
What are the key properties of (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 359.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120735047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).