ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate

C16H19FN4O5 — CID 17365641

IUPACethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)NNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN4O5/c1-2-26-16(25)21-8-6-20(7-9-21)15(24)14(23)19-18-13(22)11-4-3-5-12(17)10-11/h3-5,10H,2,6-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyLCPVIXHYDYACAV-UHFFFAOYSA-N
MW366.35 g/mol
LogP-0.11
Rot. Bonds2

About ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate (PubChem CID 17365641) has the molecular formula C16H19FN4O5 and a molecular weight of 366.35 g/mol. Its IUPAC name is ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate
PubChem CID17365641
Molecular FormulaC16H19FN4O5
Molecular Weight366.35 g/mol
Exact Mass366.13
IUPAC Nameethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)NNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN4O5/c1-2-26-16(25)21-8-6-20(7-9-21)15(24)14(23)19-18-13(22)11-4-3-5-12(17)10-11/h3-5,10H,2,6-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyLCPVIXHYDYACAV-UHFFFAOYSA-N
XLogP-0.11
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate (CID 17365641) is ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(=O)NNC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate?
The InChIKey is LCPVIXHYDYACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O5/c1-2-26-16(25)21-8-6-20(7-9-21)15(24)14(23)19-18-13(22)11-4-3-5-12(17)10-11/h3-5,10H,2,6-9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate has a molecular weight of 366.35 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(3-fluorobenzoyl)hydrazinyl]-2-oxoacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 17365641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).