2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

C19H22N4O2 — CID 95734212

IUPAC2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1nc([C@H]2CCCN(C(=O)Cn3cc(C)c4ccccc43)C2)no1
InChIInChI=1S/C19H22N4O2/c1-13-10-23(17-8-4-3-7-16(13)17)12-18(24)22-9-5-6-15(11-22)19-20-14(2)25-21-19/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyXRYORNLBWICLEL-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.05
Rot. Bonds3

About 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 95734212) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
PubChem CID95734212
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1nc([C@H]2CCCN(C(=O)Cn3cc(C)c4ccccc43)C2)no1
InChIInChI=1S/C19H22N4O2/c1-13-10-23(17-8-4-3-7-16(13)17)12-18(24)22-9-5-6-15(11-22)19-20-14(2)25-21-19/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyXRYORNLBWICLEL-HNNXBMFYSA-N
XLogP3.05
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
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
(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734280
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95769931
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95734342
3-[2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 86286497
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
(3-methylimidazo[1,5-a]pyridin-1-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95775907
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734396
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95771104

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone (CID 95734212) is 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone is Cc1nc([C@H]2CCCN(C(=O)Cn3cc(C)c4ccccc43)C2)no1.
What is the InChIKey of 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is XRYORNLBWICLEL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-10-23(17-8-4-3-7-16(13)17)12-18(24)22-9-5-6-15(11-22)19-20-14(2)25-21-19/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95734212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).