2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

C21H23N3O — CID 70783175

IUPAC2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-23-15-18(19-4-2-3-5-20(19)23)14-21(25)24-12-8-17(9-13-24)16-6-10-22-11-7-16/h2-7,10-11,15,17H,8-9,12-14H2,1H3
InChIKeyDBGFNXAEWBTIHC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.52
Rot. Bonds3

About 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone (PubChem CID 70783175) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
PubChem CID70783175
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-23-15-18(19-4-2-3-5-20(19)23)14-21(25)24-12-8-17(9-13-24)16-6-10-22-11-7-16/h2-7,10-11,15,17H,8-9,12-14H2,1H3
InChIKeyDBGFNXAEWBTIHC-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 154831413
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497
1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 46362697
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 5010235

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone (CID 70783175) is 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone is Cn1cc(CC(=O)N2CCC(c3ccncc3)CC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is DBGFNXAEWBTIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23-15-18(19-4-2-3-5-20(19)23)14-21(25)24-12-8-17(9-13-24)16-6-10-22-11-7-16/h2-7,10-11,15,17H,8-9,12-14H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 333.44 g/mol, XLogP of 3.52, 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-(4-pyridin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 70783175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).