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

C23H28N2O2 — CID 17421094

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(18-19-9-10-20-5-4-6-21(20)17-19)25-13-11-24(12-14-25)15-16-27-22-7-2-1-3-8-22/h1-3,7-10,17H,4-6,11-16,18H2
InChIKeyOAKVPRKNPKPFRT-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.94
Rot. Bonds6

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

2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (PubChem CID 17421094) 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-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
PubChem CID17421094
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(18-19-9-10-20-5-4-6-21(20)17-19)25-13-11-24(12-14-25)15-16-27-22-7-2-1-3-8-22/h1-3,7-10,17H,4-6,11-16,18H2
InChIKeyOAKVPRKNPKPFRT-UHFFFAOYSA-N
XLogP2.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
CID 70755856
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
1-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-2-[1-(hydroxymethyl)cyclobutyl]ethanone
CID 167783785
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 75463564
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-4-oxobutanamide
CID 75277364
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
CID 91788757
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (CID 17421094) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is O=C(Cc1ccc2c(c1)CCC2)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is OAKVPRKNPKPFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(18-19-9-10-20-5-4-6-21(20)17-19)25-13-11-24(12-14-25)15-16-27-22-7-2-1-3-8-22/h1-3,7-10,17H,4-6,11-16,18H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 2.94, 6 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-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17421094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).