1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone

C16H20N2O2 — CID 110910723

IUPAC1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCCC(O)C2)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12-9-18(15-7-3-2-6-14(12)15)11-16(20)17-8-4-5-13(19)10-17/h2-3,6-7,9,13,19H,4-5,8,10-11H2,1H3
InChIKeyGPUOQYDOYCEQGN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds2

About 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone

1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone (PubChem CID 110910723) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
PubChem CID110910723
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCCC(O)C2)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12-9-18(15-7-3-2-6-14(12)15)11-16(20)17-8-4-5-13(19)10-17/h2-3,6-7,9,13,19H,4-5,8,10-11H2,1H3
InChIKeyGPUOQYDOYCEQGN-UHFFFAOYSA-N
XLogP1.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
CID 95340151
2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95734212
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94363141
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 110900774
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methylindol-1-yl)acetamide
CID 111464102
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 43958376
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
CID 98572904
9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10450923

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone (CID 110910723) is 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone is Cc1cn(CC(=O)N2CCCC(O)C2)c2ccccc12.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone?
The InChIKey is GPUOQYDOYCEQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-9-18(15-7-3-2-6-14(12)15)11-16(20)17-8-4-5-13(19)10-17/h2-3,6-7,9,13,19H,4-5,8,10-11H2,1H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone?
1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone is sourced from PubChem (CID 110910723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).