3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one

C21H26N4O — CID 124968339

IUPAC3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)CCN3CCc4ccccc43)C2)n1
InChIInChI=1S/C21H26N4O/c1-16-13-22-14-19(23-16)18-6-4-10-25(15-18)21(26)9-12-24-11-8-17-5-2-3-7-20(17)24/h2-3,5,7,13-14,18H,4,6,8-12,15H2,1H3/t18-/m1/s1
InChIKeyJACZBTQBEOSKFA-GOSISDBHSA-N
MW350.47 g/mol
LogP2.94
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one

3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 124968339) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID124968339
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)CCN3CCc4ccccc43)C2)n1
InChIInChI=1S/C21H26N4O/c1-16-13-22-14-19(23-16)18-6-4-10-25(15-18)21(26)9-12-24-11-8-17-5-2-3-7-20(17)24/h2-3,5,7,13-14,18H,4,6,8-12,15H2,1H3/t18-/m1/s1
InChIKeyJACZBTQBEOSKFA-GOSISDBHSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115141
1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 95834616
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124958322
3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621815
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 110102514
(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124992892
3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one
CID 124960482
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124954995
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one (CID 124968339) is 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one is Cc1cncc([C@@H]2CCCN(C(=O)CCN3CCc4ccccc43)C2)n1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JACZBTQBEOSKFA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-13-22-14-19(23-16)18-6-4-10-25(15-18)21(26)9-12-24-11-8-17-5-2-3-7-20(17)24/h2-3,5,7,13-14,18H,4,6,8-12,15H2,1H3/t18-/m1/s1.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one?
3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124968339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).