1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one

C21H38N2O2 — CID 166255184

IUPAC1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CCN(C(=O)CC(C)(C)C)CC2
InChIInChI=1S/C21H38N2O2/c1-19(2,3)15-17(24)22-11-7-21(8-12-22)9-13-23(14-10-21)18(25)16-20(4,5)6/h7-16H2,1-6H3
InChIKeyLWDSPVWCAUWFQF-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.09
Rot. Bonds2

About 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one

1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one (PubChem CID 166255184) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
PubChem CID166255184
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CCN(C(=O)CC(C)(C)C)CC2
InChIInChI=1S/C21H38N2O2/c1-19(2,3)15-17(24)22-11-7-21(8-12-22)9-13-23(14-10-21)18(25)16-20(4,5)6/h7-16H2,1-6H3
InChIKeyLWDSPVWCAUWFQF-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one with MolForge

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Related Compounds

4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65299813
1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one
CID 56918399
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
4-(3,3-dimethylbutanoyl)piperazine-1-carbothioamide
CID 59072038
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
CID 168726992
1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 115874379
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
3,3-dimethyl-1-(1,4-oxazepan-4-yl)butan-1-one
CID 58395315
1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108569704
1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 130734788
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one (CID 166255184) is 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC2(CC1)CCN(C(=O)CC(C)(C)C)CC2.
What is the InChIKey of 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one?
The InChIKey is LWDSPVWCAUWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-19(2,3)15-17(24)22-11-7-21(8-12-22)9-13-23(14-10-21)18(25)16-20(4,5)6/h7-16H2,1-6H3.
What are the key properties of 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one?
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one has a molecular weight of 350.55 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 166255184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).