2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

C18H25NO2 — CID 112775488

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)COc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H25NO2/c1-13-8-14(2)11-19(10-13)18(20)12-21-17-7-6-15-4-3-5-16(15)9-17/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3
InChIKeyBXNJJUHQQQBXJI-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.06
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 112775488) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID112775488
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)COc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H25NO2/c1-13-8-14(2)11-19(10-13)18(20)12-21-17-7-6-15-4-3-5-16(15)9-17/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3
InChIKeyBXNJJUHQQQBXJI-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746603
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
CID 51969368
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 94140358
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
CID 95353267
3-[(3S)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-3-yl]propanoic acid
CID 124700452
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022751
1-(4-benzoylpiperidin-1-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 26079809

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 112775488) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)COc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is BXNJJUHQQQBXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-8-14(2)11-19(10-13)18(20)12-21-17-7-6-15-4-3-5-16(15)9-17/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 287.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112775488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).