cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone

C13H22N2O — CID 45110662

IUPACcyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CCC(C1)NC2
InChIInChI=1S/C13H22N2O/c16-13(11-3-1-2-4-11)15-8-10-5-6-12(9-15)14-7-10/h10-12,14H,1-9H2
InChIKeyQTVKBDQYVRXNHS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds1

About cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone

cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone (PubChem CID 45110662) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
PubChem CID45110662
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namecyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CCC(C1)NC2
InChIInChI=1S/C13H22N2O/c16-13(11-3-1-2-4-11)15-8-10-5-6-12(9-15)14-7-10/h10-12,14H,1-9H2
InChIKeyQTVKBDQYVRXNHS-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]piperidin-1-yl]methanone
CID 121495421
[(1R)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[(2R)-2-fluorocyclopropyl]methanone
CID 45110656
cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 175882089
N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 45110665
[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone
CID 58488078
1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 154908225
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-cyclooctylmethanone
CID 102679761
cyclopentyl-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 71999144
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
CID 69121814

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
The IUPAC name of cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone (CID 45110662) is cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone.
What is the SMILES notation for cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
The canonical SMILES for cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone is O=C(C1CCCC1)N1CC2CCC(C1)NC2.
What is the InChIKey of cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
The InChIKey is QTVKBDQYVRXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(11-3-1-2-4-11)15-8-10-5-6-12(9-15)14-7-10/h10-12,14H,1-9H2.
What are the key properties of cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone is sourced from PubChem (CID 45110662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).