2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one

C15H23FN2O2 — CID 131686272

IUPAC2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O
InChIInChI=1S/C15H23FN2O2/c1-2-17-10-8-14(12(17)19)5-4-9-18(11-14)13(20)15(16)6-3-7-15/h2-11H2,1H3
InChIKeyXSPNDZVOUNFXBI-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.74
Rot. Bonds2

About 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131686272) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131686272
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O
InChIInChI=1S/C15H23FN2O2/c1-2-17-10-8-14(12(17)19)5-4-9-18(11-14)13(20)15(16)6-3-7-15/h2-11H2,1H3
InChIKeyXSPNDZVOUNFXBI-UHFFFAOYSA-N
XLogP1.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53015056
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(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125303
1-Methyl-4-(7-methyl-6-azaspiro[3.4]octane-6-carbonyl)piperidin-2-one
CID 128087581
2-(2-Fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 66886880
2-(2-Fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 74222349
2-(2-Fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 123532993
2,9-Ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 171767649
9-Tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 175624381
7-(2-Methoxyethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45594816
7-(Cyclobutylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45597994
7-(Cyclopropylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72919548

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131686272) is 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is CCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O.
What is the InChIKey of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is XSPNDZVOUNFXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-2-17-10-8-14(12(17)19)5-4-9-18(11-14)13(20)15(16)6-3-7-15/h2-11H2,1H3.
What are the key properties of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 282.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131686272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).