1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

C18H18N4O2 — CID 100644461

IUPAC1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Oc2cnccn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(16-10-13-4-1-2-6-15(13)21-16)22-9-3-5-14(12-22)24-17-11-19-7-8-20-17/h1-2,4,6-8,10-11,14,21H,3,5,9,12H2/t14-/m1/s1
InChIKeyUHJVOQPSTDENTI-CQSZACIVSA-N
MW322.37 g/mol
LogP2.64
Rot. Bonds3

About 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (PubChem CID 100644461) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
PubChem CID100644461
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Oc2cnccn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(16-10-13-4-1-2-6-15(13)21-16)22-9-3-5-14(12-22)24-17-11-19-7-8-20-17/h1-2,4,6-8,10-11,14,21H,3,5,9,12H2/t14-/m1/s1
InChIKeyUHJVOQPSTDENTI-CQSZACIVSA-N
XLogP2.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767
3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
CID 100647916
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99993764

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (CID 100644461) is 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Oc2cnccn2)C1.
What is the InChIKey of 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The InChIKey is UHJVOQPSTDENTI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(16-10-13-4-1-2-6-15(13)21-16)22-9-3-5-14(12-22)24-17-11-19-7-8-20-17/h1-2,4,6-8,10-11,14,21H,3,5,9,12H2/t14-/m1/s1.
What are the key properties of 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 100644461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).