(5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone

C17H23N3O2 — CID 847261

IUPAC(5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2C
InChIInChI=1S/C17H23N3O2/c1-12-16(17(21)20-9-7-18(2)8-10-20)14-11-13(22-4)5-6-15(14)19(12)3/h5-6,11H,7-10H2,1-4H3
InChIKeyALDLIVJBCFMRNV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.88
Rot. Bonds2

About (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone

(5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 847261) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID847261
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2C
InChIInChI=1S/C17H23N3O2/c1-12-16(17(21)20-9-7-18(2)8-10-20)14-11-13(22-4)5-6-15(14)19(12)3/h5-6,11H,7-10H2,1-4H3
InChIKeyALDLIVJBCFMRNV-UHFFFAOYSA-N
XLogP1.88
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 847261) is (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone is COc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2C.
What is the InChIKey of (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ALDLIVJBCFMRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-16(17(21)20-9-7-18(2)8-10-20)14-11-13(22-4)5-6-15(14)19(12)3/h5-6,11H,7-10H2,1-4H3.
What are the key properties of (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 847261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).