4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine

C19H24FN3O3S — CID 91533483

IUPAC4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine
SMILESO=S(=O)(C=CC#CCN1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O3S/c20-18-4-6-19(7-5-18)22-9-11-23(12-10-22)27(24,25)17-3-1-2-8-21-13-15-26-16-14-21/h3-7,17H,8-16H2
InChIKeyDUNGINIAVJNCQB-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.13
Rot. Bonds4

About 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine

4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine (PubChem CID 91533483) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine
PubChem CID91533483
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine
SMILESO=S(=O)(C=CC#CCN1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O3S/c20-18-4-6-19(7-5-18)22-9-11-23(12-10-22)27(24,25)17-3-1-2-8-21-13-15-26-16-14-21/h3-7,17H,8-16H2
InChIKeyDUNGINIAVJNCQB-UHFFFAOYSA-N
XLogP1.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine?
The IUPAC name of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine (CID 91533483) is 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine.
What is the SMILES notation for 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine?
The canonical SMILES for 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine is O=S(=O)(C=CC#CCN1CCOCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine?
The InChIKey is DUNGINIAVJNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c20-18-4-6-19(7-5-18)22-9-11-23(12-10-22)27(24,25)17-3-1-2-8-21-13-15-26-16-14-21/h3-7,17H,8-16H2.
What are the key properties of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine?
4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine has a molecular weight of 393.48 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpent-4-en-2-ynyl]morpholine is sourced from PubChem (CID 91533483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).