2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one

C17H24N2O2 — CID 39286821

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-17(2,16(20)19-10-8-18-9-11-19)21-15-7-6-13-4-3-5-14(13)12-15/h6-7,12,18H,3-5,8-11H2,1-2H3
InChIKeyKOFBNVIFMUXGPM-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 39286821) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID39286821
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-17(2,16(20)19-10-8-18-9-11-19)21-15-7-6-13-4-3-5-14(13)12-15/h6-7,12,18H,3-5,8-11H2,1-2H3
InChIKeyKOFBNVIFMUXGPM-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95710956
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 70717649
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 90650294
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropan-1-one;hydrochloride
CID 154895105
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 90651795
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 133267766
5-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70787298
1-[2-(4-fluorophenoxy)-2-methylpropanoyl]-1,4-diazepan-5-one
CID 62046418
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 39287253
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one (CID 39286821) is 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one is CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCNCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is KOFBNVIFMUXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,16(20)19-10-8-18-9-11-19)21-15-7-6-13-4-3-5-14(13)12-15/h6-7,12,18H,3-5,8-11H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one?
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 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)-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39286821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).