1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone

C17H32N2O2 — CID 170083691

IUPAC1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-14(2)21-12-15(20)18-9-6-17(13-18)7-10-19(11-8-17)16(3,4)5/h14H,6-13H2,1-5H3
InChIKeyZLSMNYQROUHZAC-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.52
Rot. Bonds3

About 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone

1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone (PubChem CID 170083691) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone
PubChem CID170083691
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-14(2)21-12-15(20)18-9-6-17(13-18)7-10-19(11-8-17)16(3,4)5/h14H,6-13H2,1-5H3
InChIKeyZLSMNYQROUHZAC-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone with MolForge

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Related Compounds

1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
N-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yloxyacetamide
CID 176795528
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 138746899
1-tert-butylpiperidine-4,4-dicarboxylic acid
CID 117007985
tert-butyl 7-(2-chloroacetyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 172876279

Frequently Asked Questions

What is the IUPAC name of 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone (CID 170083691) is 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone?
The InChIKey is ZLSMNYQROUHZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)21-12-15(20)18-9-6-17(13-18)7-10-19(11-8-17)16(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone?
1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone has a molecular weight of 296.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 170083691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).