2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone

C19H20N4O2 — CID 91627845

IUPAC2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C19H20N4O2/c24-19(10-14-11-22-17-6-2-1-5-16(14)17)23-9-3-4-15(13-23)25-18-12-20-7-8-21-18/h1-2,5-8,11-12,15,22H,3-4,9-10,13H2
InChIKeyLXWVHLPUYVNDMN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.57
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone

2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 91627845) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
PubChem CID91627845
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C19H20N4O2/c24-19(10-14-11-22-17-6-2-1-5-16(14)17)23-9-3-4-15(13-23)25-18-12-20-7-8-21-18/h1-2,5-8,11-12,15,22H,3-4,9-10,13H2
InChIKeyLXWVHLPUYVNDMN-UHFFFAOYSA-N
XLogP2.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261208
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
3-[2-oxo-2-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethyl]quinazolin-4-one
CID 100644880
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819209
3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
CID 100644820
1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 129355491
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647150

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone (CID 91627845) is 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCCC(Oc2cnccn2)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is LXWVHLPUYVNDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(10-14-11-22-17-6-2-1-5-16(14)17)23-9-3-4-15(13-23)25-18-12-20-7-8-21-18/h1-2,5-8,11-12,15,22H,3-4,9-10,13H2.
What are the key properties of 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone?
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 91627845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).