1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone

C15H20N4O — CID 176934323

IUPAC1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3c(cnn3C)cc2C)CC1
InChIInChI=1S/C15H20N4O/c1-11-8-13-10-16-17(3)15(13)9-14(11)19-6-4-18(5-7-19)12(2)20/h8-10H,4-7H2,1-3H3
InChIKeyRATZXFUIUJCFNI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.55
Rot. Bonds1

About 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone

1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone (PubChem CID 176934323) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone
PubChem CID176934323
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3c(cnn3C)cc2C)CC1
InChIInChI=1S/C15H20N4O/c1-11-8-13-10-16-17(3)15(13)9-14(11)19-6-4-18(5-7-19)12(2)20/h8-10H,4-7H2,1-3H3
InChIKeyRATZXFUIUJCFNI-UHFFFAOYSA-N
XLogP1.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone (CID 176934323) is 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc3c(cnn3C)cc2C)CC1.
What is the InChIKey of 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone?
The InChIKey is RATZXFUIUJCFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-13-10-16-17(3)15(13)9-14(11)19-6-4-18(5-7-19)12(2)20/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone?
1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,5-dimethylindazol-6-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 176934323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).