1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone

C16H20N2O2 — CID 96668513

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-17-11-12(14-4-2-3-5-15(14)17)10-16(20)18-8-6-13(19)7-9-18/h2-5,11,13,19H,6-10H2,1H3
InChIKeyMFFKAMQQPAWKOH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone (PubChem CID 96668513) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
PubChem CID96668513
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-17-11-12(14-4-2-3-5-15(14)17)10-16(20)18-8-6-13(19)7-9-18/h2-5,11,13,19H,6-10H2,1H3
InChIKeyMFFKAMQQPAWKOH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819445
4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899702
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 154831413

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone (CID 96668513) is 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone is Cn1cc(CC(=O)N2CCC(O)CC2)c2ccccc21.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone?
The InChIKey is MFFKAMQQPAWKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-11-12(14-4-2-3-5-15(14)17)10-16(20)18-8-6-13(19)7-9-18/h2-5,11,13,19H,6-10H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 96668513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).