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

C16H21NO3 — CID 43390762

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCCC(O)C1
InChIInChI=1S/C16H21NO3/c18-14-5-2-8-17(10-14)16(19)11-20-15-7-6-12-3-1-4-13(12)9-15/h6-7,9,14,18H,1-5,8,10-11H2
InChIKeyDWROEHPTLSOPRR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.54
Rot. Bonds3

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

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 43390762) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID43390762
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCCC(O)C1
InChIInChI=1S/C16H21NO3/c18-14-5-2-8-17(10-14)16(19)11-20-15-7-6-12-3-1-4-13(12)9-15/h6-7,9,14,18H,1-5,8,10-11H2
InChIKeyDWROEHPTLSOPRR-UHFFFAOYSA-N
XLogP1.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-3-yl]propanoic acid
CID 124700452
ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
CID 51969368
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-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224272
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 9235488
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-nitrophenoxy)ethanone
CID 107224214
1-(4-benzoylpiperidin-1-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 26079809
N-cyclopropyl-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]pyrrolidine-2-carboxamide
CID 86924391
N-[(3R)-1-[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]piperidin-3-yl]acetamide
CID 95278541

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 43390762) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(COc1ccc2c(c1)CCC2)N1CCCC(O)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is DWROEHPTLSOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14-5-2-8-17(10-14)16(19)11-20-15-7-6-12-3-1-4-13(12)9-15/h6-7,9,14,18H,1-5,8,10-11H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.54, 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)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43390762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).