2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone

C21H23N3O — CID 124817497

IUPAC2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-23-15-17(18-8-2-3-10-20(18)23)13-21(25)24-12-5-4-9-19(24)16-7-6-11-22-14-16/h2-3,6-8,10-11,14-15,19H,4-5,9,12-13H2,1H3/t19-/m1/s1
InChIKeyLFMVOHORPCOJKA-LJQANCHMSA-N
MW333.44 g/mol
LogP3.87
Rot. Bonds3

About 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone

2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone (PubChem CID 124817497) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
PubChem CID124817497
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-23-15-17(18-8-2-3-10-20(18)23)13-21(25)24-12-5-4-9-19(24)16-7-6-11-22-14-16/h2-3,6-8,10-11,14-15,19H,4-5,9,12-13H2,1H3/t19-/m1/s1
InChIKeyLFMVOHORPCOJKA-LJQANCHMSA-N
XLogP3.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 162976309
2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94811631
4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 110210193
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
2-(1-methylindol-3-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94813165
2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94813166
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43067423

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone (CID 124817497) is 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone is Cn1cc(CC(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The InChIKey is LFMVOHORPCOJKA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23-15-17(18-8-2-3-10-20(18)23)13-21(25)24-12-5-4-9-19(24)16-7-6-11-22-14-16/h2-3,6-8,10-11,14-15,19H,4-5,9,12-13H2,1H3/t19-/m1/s1.
What are the key properties of 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone has a molecular weight of 333.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 124817497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).