1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione

C17H21FN4O3 — CID 3277198

IUPAC1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(=O)C1=O
InChIInChI=1S/C17H21FN4O3/c1-2-19-11-12-22(16(24)15(19)23)17(25)21-9-7-20(8-10-21)14-5-3-13(18)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyXDWXDAKBTMRUNF-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.76
Rot. Bonds2

About 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione

1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione (PubChem CID 3277198) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione
PubChem CID3277198
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(=O)C1=O
InChIInChI=1S/C17H21FN4O3/c1-2-19-11-12-22(16(24)15(19)23)17(25)21-9-7-20(8-10-21)14-5-3-13(18)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyXDWXDAKBTMRUNF-UHFFFAOYSA-N
XLogP0.76
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione (CID 3277198) is 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione is CCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione?
The InChIKey is XDWXDAKBTMRUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-2-19-11-12-22(16(24)15(19)23)17(25)21-9-7-20(8-10-21)14-5-3-13(18)4-6-14/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione?
1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione has a molecular weight of 348.38 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione is sourced from PubChem (CID 3277198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).