1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone

C20H20N4O2 — CID 2531171

IUPAC1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(25)15-6-8-16(9-7-15)23-10-12-24(13-11-23)20(26)19-17-4-2-3-5-18(17)21-22-19/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyQMHGLGYCFYZITI-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.73
Rot. Bonds3

About 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 2531171) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID2531171
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(25)15-6-8-16(9-7-15)23-10-12-24(13-11-23)20(26)19-17-4-2-3-5-18(17)21-22-19/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyQMHGLGYCFYZITI-UHFFFAOYSA-N
XLogP2.73
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 2531171) is 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is QMHGLGYCFYZITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(25)15-6-8-16(9-7-15)23-10-12-24(13-11-23)20(26)19-17-4-2-3-5-18(17)21-22-19/h2-9H,10-13H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 348.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2531171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).