6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C15H26ClN3O — CID 120995964

IUPAC6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1C2CCCC21)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C15H25N3O.ClH/c19-15(14-12-2-1-3-13(12)14)18-7-4-11(10-18)17-8-5-16-6-9-17;/h11-14,16H,1-10H2;1H
InChIKeyYPYAYLFFJKNXFZ-UHFFFAOYSA-N
MW299.85 g/mol
LogP0.96
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120995964) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120995964
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1C2CCCC21)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C15H25N3O.ClH/c19-15(14-12-2-1-3-13(12)14)18-7-4-11(10-18)17-8-5-16-6-9-17;/h11-14,16H,1-10H2;1H
InChIKeyYPYAYLFFJKNXFZ-UHFFFAOYSA-N
XLogP0.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635975
2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996566
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995474
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120995964) is 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(C1C2CCCC21)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is YPYAYLFFJKNXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c19-15(14-12-2-1-3-13(12)14)18-7-4-11(10-18)17-8-5-16-6-9-17;/h11-14,16H,1-10H2;1H.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120995964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).