2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

C24H29N3O2 — CID 3782860

IUPAC2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCN(Cc3ccccc3)CC1)c(C)n2C
InChIInChI=1S/C24H29N3O2/c1-18-24(21-15-20(29-3)9-10-22(21)25(18)2)23(28)17-27-13-11-26(12-14-27)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyFDOJLBMOKMDVDP-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.50
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 3782860) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID3782860
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCN(Cc3ccccc3)CC1)c(C)n2C
InChIInChI=1S/C24H29N3O2/c1-18-24(21-15-20(29-3)9-10-22(21)25(18)2)23(28)17-27-13-11-26(12-14-27)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyFDOJLBMOKMDVDP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 3782860) is 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is COc1ccc2c(c1)c(C(=O)CN1CCN(Cc3ccccc3)CC1)c(C)n2C.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is FDOJLBMOKMDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-24(21-15-20(29-3)9-10-22(21)25(18)2)23(28)17-27-13-11-26(12-14-27)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 391.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 3782860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).