1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone

C24H29N3O2 — CID 661018

IUPAC1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCN(C)CC1)c(C)n2Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c1-18-24(23(28)17-26-13-11-25(2)12-14-26)21-15-20(29-3)9-10-22(21)27(18)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyHHJIXCRWKJUMQX-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.44
Rot. Bonds6

About 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 661018) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID661018
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCN(C)CC1)c(C)n2Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c1-18-24(23(28)17-26-13-11-25(2)12-14-26)21-15-20(29-3)9-10-22(21)27(18)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyHHJIXCRWKJUMQX-UHFFFAOYSA-N
XLogP3.44
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 661018) is 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc2c(c1)c(C(=O)CN1CCN(C)CC1)c(C)n2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HHJIXCRWKJUMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-24(23(28)17-26-13-11-25(2)12-14-26)21-15-20(29-3)9-10-22(21)27(18)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3.
What are the key properties of 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 391.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 661018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).