8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one

C18H23FN2O3 — CID 97385453

IUPAC8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C18H23FN2O3/c1-24-13-12-21-11-8-18(17(21)23)6-9-20(10-7-18)16(22)14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyDANSQWWJHMQPSY-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.93
Rot. Bonds4

About 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one

8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97385453) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97385453
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C18H23FN2O3/c1-24-13-12-21-11-8-18(17(21)23)6-9-20(10-7-18)16(22)14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyDANSQWWJHMQPSY-UHFFFAOYSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97385453) is 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DANSQWWJHMQPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-24-13-12-21-11-8-18(17(21)23)6-9-20(10-7-18)16(22)14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3.
What are the key properties of 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 334.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97385453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).