cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone

C12H20N2O — CID 175882089

IUPACcyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CCC1CN2
InChIInChI=1S/C12H20N2O/c15-12(9-3-1-2-4-9)14-8-10-5-6-11(14)7-13-10/h9-11,13H,1-8H2
InChIKeyHUDHZXOBPPMPTG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.14
Rot. Bonds1

About cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone

cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone (PubChem CID 175882089) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
PubChem CID175882089
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Namecyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CCC1CN2
InChIInChI=1S/C12H20N2O/c15-12(9-3-1-2-4-9)14-8-10-5-6-11(14)7-13-10/h9-11,13H,1-8H2
InChIKeyHUDHZXOBPPMPTG-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
CID 45110662
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
cyclobutyl-[(1R)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
CID 67130731
cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
CID 58488093
cyclobutyl-[4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]piperidin-1-yl]methanone
CID 121495421
2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
CID 131676431
N-(2-phenylpyrimidin-5-yl)-2,5-diazabicyclo[2.2.2]octane-2-carboxamide
CID 128871439
[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride
CID 154908047
2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
CID 129375092
1-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 124539751
N-[5-bromo-4-(dimethylamino)-2-pyridinyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxamide
CID 128872121

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
The IUPAC name of cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone (CID 175882089) is cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone.
What is the SMILES notation for cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
The canonical SMILES for cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone is O=C(C1CCCC1)N1CC2CCC1CN2.
What is the InChIKey of cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
The InChIKey is HUDHZXOBPPMPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(9-3-1-2-4-9)14-8-10-5-6-11(14)7-13-10/h9-11,13H,1-8H2.
What are the key properties of cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone?
cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone is sourced from PubChem (CID 175882089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).