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

C25H30N2O3 — CID 38027776

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C25H30N2O3/c1-18(2)19-6-8-21(9-7-19)25(29)27-14-12-26(13-15-27)24(28)17-30-23-11-10-20-4-3-5-22(20)16-23/h6-11,16,18H,3-5,12-15,17H2,1-2H3
InChIKeyTUENKTFPFFALCR-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.66
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 38027776) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID38027776
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C25H30N2O3/c1-18(2)19-6-8-21(9-7-19)25(29)27-14-12-26(13-15-27)24(28)17-30-23-11-10-20-4-3-5-22(20)16-23/h6-11,16,18H,3-5,12-15,17H2,1-2H3
InChIKeyTUENKTFPFFALCR-UHFFFAOYSA-N
XLogP3.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 55573955
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022751
2-(2,4-dimethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108568076
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
1-(4-benzoylpiperidin-1-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 26079809
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2971497
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 18138896
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
CID 112978210
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (CID 38027776) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is CC(C)c1ccc(C(=O)N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is TUENKTFPFFALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18(2)19-6-8-21(9-7-19)25(29)27-14-12-26(13-15-27)24(28)17-30-23-11-10-20-4-3-5-22(20)16-23/h6-11,16,18H,3-5,12-15,17H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.66, 5 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-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 38027776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).