2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C26H26N4O2 — CID 95819209

IUPAC2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H26N4O2/c1-32-23-11-5-3-9-21(23)26-25(27-12-13-28-26)18-7-6-14-30(17-18)24(31)15-19-16-29-22-10-4-2-8-20(19)22/h2-5,8-13,16,18,29H,6-7,14-15,17H2,1H3/t18-/m1/s1
InChIKeyCHKKDSCPBKGTBM-GOSISDBHSA-N
MW426.52 g/mol
LogP4.58
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95819209) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95819209
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H26N4O2/c1-32-23-11-5-3-9-21(23)26-25(27-12-13-28-26)18-7-6-14-30(17-18)24(31)15-19-16-29-22-10-4-2-8-20(19)22/h2-5,8-13,16,18,29H,6-7,14-15,17H2,1H3/t18-/m1/s1
InChIKeyCHKKDSCPBKGTBM-GOSISDBHSA-N
XLogP4.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890
1-[3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110255191
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
2-(1H-indol-3-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261208
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819896
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809333
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110267944
4-ethyl-5-[(3S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95197415
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95819209) is 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is CHKKDSCPBKGTBM-GOSISDBHSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-23-11-5-3-9-21(23)26-25(27-12-13-28-26)18-7-6-14-30(17-18)24(31)15-19-16-29-22-10-4-2-8-20(19)22/h2-5,8-13,16,18,29H,6-7,14-15,17H2,1H3/t18-/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 426.52 g/mol, XLogP of 4.58, 5 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-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95819209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).