1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone

C15H23NO — CID 128517846

IUPAC1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone
SMILESO=C(C1CC2CCC1CC2)N1CCC12CCC2
InChIInChI=1S/C15H23NO/c17-14(16-9-8-15(16)6-1-7-15)13-10-11-2-4-12(13)5-3-11/h11-13H,1-10H2
InChIKeyWDDNSJRRHDFWCB-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.97
Rot. Bonds1

About 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone

1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone (PubChem CID 128517846) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone.

Molecular Properties

Compound Name1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone
PubChem CID128517846
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone
SMILESO=C(C1CC2CCC1CC2)N1CCC12CCC2
InChIInChI=1S/C15H23NO/c17-14(16-9-8-15(16)6-1-7-15)13-10-11-2-4-12(13)5-3-11/h11-13H,1-10H2
InChIKeyWDDNSJRRHDFWCB-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-azaspiro[3.3]heptan-1-yl-[(1S,2S)-2-cyclobutylcyclopropyl]methanone
CID 99775426
1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone
CID 99775427
1-azaspiro[3.3]heptan-1-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 130643737
1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 130748124
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone
CID 128521650
calcium bis((2R)-bicyclo[2.2.2]octane-2-carboxylate)
CID 140572510
2-bicyclo[2.2.1]heptanyl(pyrazolidin-1-yl)methanone
CID 131123694
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
CID 146123755
1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone
CID 10662063

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone?
The IUPAC name of 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone (CID 128517846) is 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone.
What is the SMILES notation for 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone?
The canonical SMILES for 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone is O=C(C1CC2CCC1CC2)N1CCC12CCC2.
What is the InChIKey of 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone?
The InChIKey is WDDNSJRRHDFWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-14(16-9-8-15(16)6-1-7-15)13-10-11-2-4-12(13)5-3-11/h11-13H,1-10H2.
What are the key properties of 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone?
1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone has a molecular weight of 233.35 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone is sourced from PubChem (CID 128517846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).