2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one

C17H31N3O — CID 102850231

IUPAC2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H31N3O/c1-15(16(21)19-10-3-2-4-11-19)20-12-6-8-17(14-20)7-5-9-18-13-17/h15,18H,2-14H2,1H3
InChIKeyJZZMXADZFLZMPL-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.85
Rot. Bonds2

About 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one

2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 102850231) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID102850231
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H31N3O/c1-15(16(21)19-10-3-2-4-11-19)20-12-6-8-17(14-20)7-5-9-18-13-17/h15,18H,2-14H2,1H3
InChIKeyJZZMXADZFLZMPL-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide
CID 102850280
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 102850283
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
1-(azepan-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 113249921
2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 102558215
(2R)-1-(azepan-1-yl)-2-(4,4-dimethylazepan-1-yl)propan-1-one
CID 99811252
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
CID 102850302
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one (CID 102850231) is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is JZZMXADZFLZMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-15(16(21)19-10-3-2-4-11-19)20-12-6-8-17(14-20)7-5-9-18-13-17/h15,18H,2-14H2,1H3.
What are the key properties of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one?
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 293.46 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 102850231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).