1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone

C15H26N2O — CID 64609584

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone
SMILESO=C(CC1CNC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H26N2O/c18-14(10-13-11-16-12-13)17-8-6-15(7-9-17)4-2-1-3-5-15/h13,16H,1-12H2
InChIKeyHENYIULUIIRIQB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds2

About 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone

1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone (PubChem CID 64609584) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone
PubChem CID64609584
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone
SMILESO=C(CC1CNC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H26N2O/c18-14(10-13-11-16-12-13)17-8-6-15(7-9-17)4-2-1-3-5-15/h13,16H,1-12H2
InChIKeyHENYIULUIIRIQB-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 79611050
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid
CID 79311312
1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-ylethanone
CID 63163322
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone
CID 131185783
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824

Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone (CID 64609584) is 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone is O=C(CC1CNC1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone?
The InChIKey is HENYIULUIIRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-14(10-13-11-16-12-13)17-8-6-15(7-9-17)4-2-1-3-5-15/h13,16H,1-12H2.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone?
1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone has a molecular weight of 250.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone is sourced from PubChem (CID 64609584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).