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

C17H25FN2O2 — CID 131686316

IUPAC2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCCC2(CCN(CC3CC3)C2=O)C1)C1(F)CCC1
InChIInChI=1S/C17H25FN2O2/c18-17(6-1-7-17)15(22)20-9-2-5-16(12-20)8-10-19(14(16)21)11-13-3-4-13/h13H,1-12H2
InChIKeyZLDLJQMORVYREC-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.13
Rot. Bonds3

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

2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131686316) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131686316
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCCC2(CCN(CC3CC3)C2=O)C1)C1(F)CCC1
InChIInChI=1S/C17H25FN2O2/c18-17(6-1-7-17)15(22)20-9-2-5-16(12-20)8-10-19(14(16)21)11-13-3-4-13/h13H,1-12H2
InChIKeyZLDLJQMORVYREC-UHFFFAOYSA-N
XLogP2.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(Cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45216447
13-Acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742195
(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42384848
(5S)-2-(cyclobutanecarbonyl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42556970
7-(Cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179572
(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125303
(5S)-7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42112800
(5R)-7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42112808
(5S)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42507521
(5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42507522
7-(Cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169368
7-(Cyclobutylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45597994

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131686316) is 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(N1CCCC2(CCN(CC3CC3)C2=O)C1)C1(F)CCC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ZLDLJQMORVYREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-17(6-1-7-17)15(22)20-9-2-5-16(12-20)8-10-19(14(16)21)11-13-3-4-13/h13H,1-12H2.
What are the key properties of 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 308.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131686316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).