1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide

C17H25FN4O3 — CID 24733045

IUPAC1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
SMILESCCNC(=O)N1CCN(CCOc2ccc(F)cc2)CC1C(=O)NC
InChIInChI=1S/C17H25FN4O3/c1-3-20-17(24)22-9-8-21(12-15(22)16(23)19-2)10-11-25-14-6-4-13(18)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyRKRSJIFJSOREMM-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.67
Rot. Bonds6

About 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide

1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide (PubChem CID 24733045) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
PubChem CID24733045
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
SMILESCCNC(=O)N1CCN(CCOc2ccc(F)cc2)CC1C(=O)NC
InChIInChI=1S/C17H25FN4O3/c1-3-20-17(24)22-9-8-21(12-15(22)16(23)19-2)10-11-25-14-6-4-13(18)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyRKRSJIFJSOREMM-UHFFFAOYSA-N
XLogP0.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
The IUPAC name of 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide (CID 24733045) is 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
The canonical SMILES for 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide is CCNC(=O)N1CCN(CCOc2ccc(F)cc2)CC1C(=O)NC.
What is the InChIKey of 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
The InChIKey is RKRSJIFJSOREMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3/c1-3-20-17(24)22-9-8-21(12-15(22)16(23)19-2)10-11-25-14-6-4-13(18)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide has a molecular weight of 352.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 24733045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).