[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone

C21H23FN4O3 — CID 163655876

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone
SMILESO=Nc1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN4O3/c22-16-1-4-18(5-2-16)24-7-9-26(10-8-24)21(27)19-15-17(23-28)3-6-20(19)25-11-13-29-14-12-25/h1-6,15H,7-14H2
InChIKeyIQDXHARILXHZLA-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.02
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone (PubChem CID 163655876) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone
PubChem CID163655876
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone
SMILESO=Nc1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN4O3/c22-16-1-4-18(5-2-16)24-7-9-26(10-8-24)21(27)19-15-17(23-28)3-6-20(19)25-11-13-29-14-12-25/h1-6,15H,7-14H2
InChIKeyIQDXHARILXHZLA-UHFFFAOYSA-N
XLogP3.02
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone (CID 163655876) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone is O=Nc1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone?
The InChIKey is IQDXHARILXHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c22-16-1-4-18(5-2-16)24-7-9-26(10-8-24)21(27)19-15-17(23-28)3-6-20(19)25-11-13-29-14-12-25/h1-6,15H,7-14H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone has a molecular weight of 398.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone is sourced from PubChem (CID 163655876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).