N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide

C18H25FN4O2 — CID 18578284

IUPACN'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(c1ccc(F)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H25FN4O2/c1-3-8-20-17(24)18(25)21-13-16(14-4-6-15(19)7-5-14)23-11-9-22(2)10-12-23/h3-7,16H,1,8-13H2,2H3,(H,20,24)(H,21,25)
InChIKeyWPEIJTIXJLRSMU-UHFFFAOYSA-N
MW348.42 g/mol
LogP0.53
Rot. Bonds6

About N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide

N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide (PubChem CID 18578284) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide
PubChem CID18578284
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC NameN'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(c1ccc(F)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H25FN4O2/c1-3-8-20-17(24)18(25)21-13-16(14-4-6-15(19)7-5-14)23-11-9-22(2)10-12-23/h3-7,16H,1,8-13H2,2H3,(H,20,24)(H,21,25)
InChIKeyWPEIJTIXJLRSMU-UHFFFAOYSA-N
XLogP0.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide (CID 18578284) is N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC(c1ccc(F)cc1)N1CCN(C)CC1.
What is the InChIKey of N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide?
The InChIKey is WPEIJTIXJLRSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-3-8-20-17(24)18(25)21-13-16(14-4-6-15(19)7-5-14)23-11-9-22(2)10-12-23/h3-7,16H,1,8-13H2,2H3,(H,20,24)(H,21,25).
What are the key properties of N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide?
N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide has a molecular weight of 348.42 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 18578284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).