Skip to content

Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C24H34F2N4O3 — CID 171092730

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(CCC(N3CCN(c4cc(F)cnc4C4(F)CCOCC4)CC3)C2)C1
InChIInChI=1S/C24H34F2N4O3/c1-2-33-22(31)30-16-23(17-30)4-3-19(14-23)28-7-9-29(10-8-28)20-13-18(25)15-27-21(20)24(26)5-11-32-12-6-24/h13,15,19H,2-12,14,16-17H2,1H3
InChIKeyMYZDSSQFKNCVQG-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.33
Rot. Bonds4

About Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 171092730) has the molecular formula C24H34F2N4O3 and a molecular weight of 464.56 g/mol. Its IUPAC name is ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound NameEthyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID171092730
Molecular FormulaC24H34F2N4O3
Molecular Weight464.56 g/mol
Exact Mass464.26
IUPAC Nameethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(CCC(N3CCN(c4cc(F)cnc4C4(F)CCOCC4)CC3)C2)C1
InChIInChI=1S/C24H34F2N4O3/c1-2-33-22(31)30-16-23(17-30)4-3-19(14-23)28-7-9-29(10-8-28)20-13-18(25)15-27-21(20)24(26)5-11-32-12-6-24/h13,15,19H,2-12,14,16-17H2,1H3
InChIKeyMYZDSSQFKNCVQG-UHFFFAOYSA-N
XLogP3.33
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 171092730) is ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CCC(N3CCN(c4cc(F)cnc4C4(F)CCOCC4)CC3)C2)C1.
What is the InChIKey of Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is MYZDSSQFKNCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N4O3/c1-2-33-22(31)30-16-23(17-30)4-3-19(14-23)28-7-9-29(10-8-28)20-13-18(25)15-27-21(20)24(26)5-11-32-12-6-24/h13,15,19H,2-12,14,16-17H2,1H3.
What are the key properties of Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 464.56 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 171092730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.