1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone

C16H21FN2O3 — CID 1439923

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)11-18-12-15(20)19-7-5-16(6-8-19)21-9-10-22-16/h1-4,18H,5-12H2
InChIKeyUFSXEPPLOFAQBL-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.28
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone (PubChem CID 1439923) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone
PubChem CID1439923
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)11-18-12-15(20)19-7-5-16(6-8-19)21-9-10-22-16/h1-4,18H,5-12H2
InChIKeyUFSXEPPLOFAQBL-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone (CID 1439923) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone is O=C(CNCc1ccc(F)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
The InChIKey is UFSXEPPLOFAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)11-18-12-15(20)19-7-5-16(6-8-19)21-9-10-22-16/h1-4,18H,5-12H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone has a molecular weight of 308.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone is sourced from PubChem (CID 1439923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).