2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone

C22H26N2O4 — CID 110631942

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCN1C
InChIInChI=1S/C22H26N2O4/c1-23-9-10-24(15-18(23)17-5-3-4-6-19(17)26-2)22(25)14-16-7-8-20-21(13-16)28-12-11-27-20/h3-8,13,18H,9-12,14-15H2,1-2H3
InChIKeyZXMUZPSTNJBISX-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.52
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone (PubChem CID 110631942) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
PubChem CID110631942
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCN1C
InChIInChI=1S/C22H26N2O4/c1-23-9-10-24(15-18(23)17-5-3-4-6-19(17)26-2)22(25)14-16-7-8-20-21(13-16)28-12-11-27-20/h3-8,13,18H,9-12,14-15H2,1-2H3
InChIKeyZXMUZPSTNJBISX-UHFFFAOYSA-N
XLogP2.52
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9336093
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124998291
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
(2S)-4-[2-(1,3-benzodioxol-5-yl)acetyl]-1-methylpiperazine-2-carboxylic acid
CID 95210415
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110609346

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone (CID 110631942) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone is COc1ccccc1C1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCN1C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
The InChIKey is ZXMUZPSTNJBISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23-9-10-24(15-18(23)17-5-3-4-6-19(17)26-2)22(25)14-16-7-8-20-21(13-16)28-12-11-27-20/h3-8,13,18H,9-12,14-15H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110631942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).