1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone

C21H24N4O — CID 20877562

IUPAC1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C21H24N4O/c1-2-23-12-14-24(15-13-23)20(26)16-25-19-11-7-6-10-18(19)21(22-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKeySPCCGKVKOIRNOO-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.87
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone (PubChem CID 20877562) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone
PubChem CID20877562
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C21H24N4O/c1-2-23-12-14-24(15-13-23)20(26)16-25-19-11-7-6-10-18(19)21(22-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKeySPCCGKVKOIRNOO-UHFFFAOYSA-N
XLogP2.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone (CID 20877562) is 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone is CCN1CCN(C(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
The InChIKey is SPCCGKVKOIRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-23-12-14-24(15-13-23)20(26)16-25-19-11-7-6-10-18(19)21(22-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(3-phenylindazol-1-yl)ethanone is sourced from PubChem (CID 20877562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).