1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

C16H23N3O2 — CID 90254453

IUPAC1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESCOc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
InChIInChI=1S/C16H23N3O2/c1-12-10-18(8-6-17-12)11-16(20)19-7-5-13-3-4-14(21-2)9-15(13)19/h3-4,9,12,17H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyAZZBQNKRRWVSFT-GFCCVEGCSA-N
MW289.38 g/mol
LogP0.88
Rot. Bonds3

About 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (PubChem CID 90254453) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
PubChem CID90254453
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESCOc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
InChIInChI=1S/C16H23N3O2/c1-12-10-18(8-6-17-12)11-16(20)19-7-5-13-3-4-14(21-2)9-15(13)19/h3-4,9,12,17H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyAZZBQNKRRWVSFT-GFCCVEGCSA-N
XLogP0.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (CID 90254453) is 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is COc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is AZZBQNKRRWVSFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-10-18(8-6-17-12)11-16(20)19-7-5-13-3-4-14(21-2)9-15(13)19/h3-4,9,12,17H,5-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 90254453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).