1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C23H27N3O2 — CID 658705

IUPAC1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-17-23(18-8-4-5-9-19(18)24(17)2)21(27)16-25-12-14-26(15-13-25)20-10-6-7-11-22(20)28-3/h4-11H,12-16H2,1-3H3
InChIKeyWMKSFUDKAAFMOF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.50
Rot. Bonds5

About 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 658705) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID658705
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-17-23(18-8-4-5-9-19(18)24(17)2)21(27)16-25-12-14-26(15-13-25)20-10-6-7-11-22(20)28-3/h4-11H,12-16H2,1-3H3
InChIKeyWMKSFUDKAAFMOF-UHFFFAOYSA-N
XLogP3.50
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
AM-630
CID 4302963
Jwh 250
CID 44397540
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
Win 54,461
CID 9868699
Duometacin
CID 71912
(6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-indol-3-yl)methanone
CID 11233636
Jwh-253
CID 44397405
2-(2-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397559

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 658705) is 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is WMKSFUDKAAFMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-23(18-8-4-5-9-19(18)24(17)2)21(27)16-25-12-14-26(15-13-25)20-10-6-7-11-22(20)28-3/h4-11H,12-16H2,1-3H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 377.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 658705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).