1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

C17H23Cl2N3O — CID 90232214

IUPAC1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CC(C)(C)c3c(Cl)cc(Cl)cc32)CCN1
InChIInChI=1S/C17H23Cl2N3O/c1-11-8-21(5-4-20-11)9-15(23)22-10-17(2,3)16-13(19)6-12(18)7-14(16)22/h6-7,11,20H,4-5,8-10H2,1-3H3/t11-/m1/s1
InChIKeyJXUQSLGWPMYAIW-LLVKDONJSA-N
MW356.30 g/mol
LogP2.91
Rot. Bonds2

About 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (PubChem CID 90232214) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
PubChem CID90232214
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CC(C)(C)c3c(Cl)cc(Cl)cc32)CCN1
InChIInChI=1S/C17H23Cl2N3O/c1-11-8-21(5-4-20-11)9-15(23)22-10-17(2,3)16-13(19)6-12(18)7-14(16)22/h6-7,11,20H,4-5,8-10H2,1-3H3/t11-/m1/s1
InChIKeyJXUQSLGWPMYAIW-LLVKDONJSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (CID 90232214) is 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c(Cl)cc(Cl)cc32)CCN1.
What is the InChIKey of 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is JXUQSLGWPMYAIW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-11-8-21(5-4-20-11)9-15(23)22-10-17(2,3)16-13(19)6-12(18)7-14(16)22/h6-7,11,20H,4-5,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 356.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 90232214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).