2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H22N2O2 — CID 80565967

IUPAC2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CNc2ccccc21)N1CCCCC1CCO
InChIInChI=1S/C16H22N2O2/c19-10-8-12-5-3-4-9-18(12)16(20)14-11-17-15-7-2-1-6-13(14)15/h1-2,6-7,12,14,17,19H,3-5,8-11H2
InChIKeyMCOIMLMGNYLZGO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.96
Rot. Bonds3

About 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 80565967) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID80565967
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CNc2ccccc21)N1CCCCC1CCO
InChIInChI=1S/C16H22N2O2/c19-10-8-12-5-3-4-9-18(12)16(20)14-11-17-15-7-2-1-6-13(14)15/h1-2,6-7,12,14,17,19H,3-5,8-11H2
InChIKeyMCOIMLMGNYLZGO-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(2,3-dihydro-1H-indol-3-yl)methanone
CID 80564716
1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 80565554
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 82705880
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 80566263
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 80573876
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 43245490
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
(E)-3-(2-bromophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 60743174
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217725

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 80565967) is 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(C1CNc2ccccc21)N1CCCCC1CCO.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is MCOIMLMGNYLZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-10-8-12-5-3-4-9-18(12)16(20)14-11-17-15-7-2-1-6-13(14)15/h1-2,6-7,12,14,17,19H,3-5,8-11H2.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80565967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).