7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone

C15H20N2O — CID 66396149

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)C1Cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-10-8-16-9-11(2)17(10)15(18)14-7-12-5-3-4-6-13(12)14/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyHWSMJKRDUZFGRI-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.54
Rot. Bonds1

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 66396149) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID66396149
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)C1Cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-10-8-16-9-11(2)17(10)15(18)14-7-12-5-3-4-6-13(12)14/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyHWSMJKRDUZFGRI-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 66394785
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66396346
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580377
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394400
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-diethylpiperazin-1-yl)methanone
CID 66394405
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one
CID 66395152
N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397068
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95774767
(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66394637

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone (CID 66396149) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone is CC1CNCC(C)N1C(=O)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is HWSMJKRDUZFGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-16-9-11(2)17(10)15(18)14-7-12-5-3-4-6-13(12)14/h3-6,10-11,14,16H,7-9H2,1-2H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 66396149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).