3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one

C17H30N2O — CID 102849644

IUPAC3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H30N2O/c20-16(8-7-15-5-1-2-6-15)19-12-4-10-17(14-19)9-3-11-18-13-17/h15,18H,1-14H2
InChIKeyTUJVSYLANNTLPL-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.95
Rot. Bonds3

About 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one

3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one (PubChem CID 102849644) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
PubChem CID102849644
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H30N2O/c20-16(8-7-15-5-1-2-6-15)19-12-4-10-17(14-19)9-3-11-18-13-17/h15,18H,1-14H2
InChIKeyTUJVSYLANNTLPL-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
CID 102849816
3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
CID 71926235
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181114
2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
CID 102849661
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
CID 82038156
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one (CID 102849644) is 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one is O=C(CCC1CCCC1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one?
The InChIKey is TUJVSYLANNTLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-16(8-7-15-5-1-2-6-15)19-12-4-10-17(14-19)9-3-11-18-13-17/h15,18H,1-14H2.
What are the key properties of 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one?
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one has a molecular weight of 278.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one is sourced from PubChem (CID 102849644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).