cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

C11H18N2O — CID 89273597

IUPACcyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CC(C1)N2
InChIInChI=1S/C11H18N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h8-10,12H,1-7H2
InChIKeyJWEOQIUDCVEFPL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds1

About cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (PubChem CID 89273597) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
PubChem CID89273597
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CC(C1)N2
InChIInChI=1S/C11H18N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h8-10,12H,1-7H2
InChIKeyJWEOQIUDCVEFPL-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1R,2R)-2-methylcyclopropyl]methanone
CID 89273630
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1S,2S)-2-methylcyclopropyl]methanone
CID 69920740
Cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
CID 89273598
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1S,2R)-2-methylcyclopropyl]methanone
CID 89273626
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1R,2S)-2-methylcyclopropyl]methanone
CID 89273629
1-Cyclopentanecarbonylpiperazine
CID 15512779
cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
CID 97379419
cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
CID 97404071
N-[2-(piperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 43600321
1-[4-[2-(2,5-Dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 120154789
N-(2-oxo-2-piperidin-1-yl-1-piperidin-4-ylethyl)cyclopentanecarboxamide
CID 24718111
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 24719461

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The IUPAC name of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (CID 89273597) is cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.
What is the SMILES notation for cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The canonical SMILES for cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is O=C(C1CCCC1)N1CC2CC(C1)N2.
What is the InChIKey of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The InChIKey is JWEOQIUDCVEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h8-10,12H,1-7H2.
What are the key properties of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.75, 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[3.1.1]heptan-3-yl)methanone is sourced from PubChem (CID 89273597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).