[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

C18H18N4O2 — CID 166229211

IUPAC[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C18H18N4O2/c23-14-4-1-3-13(11-14)21-7-9-22(10-8-21)18(24)15-5-2-6-17-16(15)12-19-20-17/h1-6,11-12,23H,7-10H2,(H,19,20)
InChIKeyCQXJTQWBSUBRJN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.23
Rot. Bonds2

About [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (PubChem CID 166229211) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
PubChem CID166229211
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C18H18N4O2/c23-14-4-1-3-13(11-14)21-7-9-22(10-8-21)18(24)15-5-2-6-17-16(15)12-19-20-17/h1-6,11-12,23H,7-10H2,(H,19,20)
InChIKeyCQXJTQWBSUBRJN-UHFFFAOYSA-N
XLogP2.23
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166328389
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167829626
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
[4-(3-hydroxyphenyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 146122602
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
7-amino-2-(1H-indazole-4-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242481
1-[7-(1H-indazole-4-carbonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-methylpropan-1-one
CID 171674633
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (CID 166229211) is [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is CQXJTQWBSUBRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-14-4-1-3-13(11-14)21-7-9-22(10-8-21)18(24)15-5-2-6-17-16(15)12-19-20-17/h1-6,11-12,23H,7-10H2,(H,19,20).
What are the key properties of [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 166229211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).