2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone

C15H20N2O3 — CID 98020112

IUPAC2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
SMILESCc1cc2c(cc1CC(=O)N1CCNCC1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-11-8-13-14(20-7-6-19-13)9-12(11)10-15(18)17-4-2-16-3-5-17/h8-9,16H,2-7,10H2,1H3
InChIKeyQZRGQQOHKAZPKT-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.74
Rot. Bonds2

About 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone

2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone (PubChem CID 98020112) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
PubChem CID98020112
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
SMILESCc1cc2c(cc1CC(=O)N1CCNCC1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-11-8-13-14(20-7-6-19-13)9-12(11)10-15(18)17-4-2-16-3-5-17/h8-9,16H,2-7,10H2,1H3
InChIKeyQZRGQQOHKAZPKT-UHFFFAOYSA-N
XLogP0.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110770188
1-[4-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 110800779
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110800562
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110770175
1-[4-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110806798
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110801706
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110810001
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
CID 117442969
1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117410722
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone (CID 98020112) is 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone is Cc1cc2c(cc1CC(=O)N1CCNCC1)OCCO2.
What is the InChIKey of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone?
The InChIKey is QZRGQQOHKAZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-8-13-14(20-7-6-19-13)9-12(11)10-15(18)17-4-2-16-3-5-17/h8-9,16H,2-7,10H2,1H3.
What are the key properties of 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone?
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 98020112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).