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

C17H28FN3O2 — CID 131681734

IUPAC2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN(C)CCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O
InChIInChI=1S/C17H28FN3O2/c1-19(2)11-12-20-10-8-16(14(20)22)5-4-9-21(13-16)15(23)17(18)6-3-7-17/h3-13H2,1-2H3
InChIKeyUKQGICYHDMZGSA-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.28
Rot. Bonds4

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

2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131681734) has the molecular formula C17H28FN3O2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131681734
Molecular FormulaC17H28FN3O2
Molecular Weight325.43 g/mol
Exact Mass325.22
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN(C)CCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O
InChIInChI=1S/C17H28FN3O2/c1-19(2)11-12-20-10-8-16(14(20)22)5-4-9-21(13-16)15(23)17(18)6-3-7-17/h3-13H2,1-2H3
InChIKeyUKQGICYHDMZGSA-UHFFFAOYSA-N
XLogP1.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-2-(cyclobutanecarbonyl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42556970
(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125303
2,9-Ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 171767649
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
(5S)-7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97146656
(5R)-7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97146657
(5S)-9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129546727
(5R)-9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129546728
9-(1-Fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131679708
2-[2-(Dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131681892
2-[8-(1-fluorocyclobutanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
CID 131684190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131681734) is 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is CN(C)CCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is UKQGICYHDMZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O2/c1-19(2)11-12-20-10-8-16(14(20)22)5-4-9-21(13-16)15(23)17(18)6-3-7-17/h3-13H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 325.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131681734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).