2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C23H28N2O2 — CID 2101610

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)c1C
InChIInChI=1S/C23H28N2O2/c1-17-5-3-8-22(18(17)2)24-11-13-25(14-12-24)23(26)16-27-21-10-9-19-6-4-7-20(19)15-21/h3,5,8-10,15H,4,6-7,11-14,16H2,1-2H3
InChIKeyAPBBELJERPJKIM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.52
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 2101610) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID2101610
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)c1C
InChIInChI=1S/C23H28N2O2/c1-17-5-3-8-22(18(17)2)24-11-13-25(14-12-24)23(26)16-27-21-10-9-19-6-4-7-20(19)15-21/h3,5,8-10,15H,4,6-7,11-14,16H2,1-2H3
InChIKeyAPBBELJERPJKIM-UHFFFAOYSA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
CID 9955819
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
CID 10672840
2-[4-[2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxyacetyl]piperazin-1-yl]benzonitrile
CID 10838063
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
6,7-Dimethyl-4-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 44449079
1-[4-[(2-Methylphenyl)methyl]piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 71461632
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methoxyphenyl)acetamide
CID 2611425
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 2669167
N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 9266687

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 2101610) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)c1C.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is APBBELJERPJKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-5-3-8-22(18(17)2)24-11-13-25(14-12-24)23(26)16-27-21-10-9-19-6-4-7-20(19)15-21/h3,5,8-10,15H,4,6-7,11-14,16H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2101610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).