2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone

C17H28N2O — CID 102849915

IUPAC2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H28N2O/c20-16(15-10-13-3-4-14(15)9-13)19-8-2-6-17(12-19)5-1-7-18-11-17/h13-15,18H,1-12H2
InChIKeyZFFMDQVYRFSCGC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.41
Rot. Bonds1

About 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone

2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 102849915) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID102849915
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H28N2O/c20-16(15-10-13-3-4-14(15)9-13)19-8-2-6-17(12-19)5-1-7-18-11-17/h13-15,18H,1-12H2
InChIKeyZFFMDQVYRFSCGC-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181114
cyclobutyl(2,9-diazaspiro[4.5]decan-2-yl)methanone
CID 134068804
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
CID 102849661
[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
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 102849644
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
[2-(2-oxa-8-azaspiro[3.5]nonane-8-carbonyl)cyclobutyl]-(2-oxa-8-azaspiro[3.5]nonan-8-yl)methanone
CID 155955717

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone (CID 102849915) is 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone is O=C(C1CC2CCC1C2)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is ZFFMDQVYRFSCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(15-10-13-3-4-14(15)9-13)19-8-2-6-17(12-19)5-1-7-18-11-17/h13-15,18H,1-12H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 276.42 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 102849915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).