1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one

C15H20N4O — CID 116559545

IUPAC1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
SMILESCn1nc(CC(=O)CN2CCNCC2)c2ccccc21
InChIInChI=1S/C15H20N4O/c1-18-15-5-3-2-4-13(15)14(17-18)10-12(20)11-19-8-6-16-7-9-19/h2-5,16H,6-11H2,1H3
InChIKeyGILRCIITIPYEEJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.59
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one

1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one (PubChem CID 116559545) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
PubChem CID116559545
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
SMILESCn1nc(CC(=O)CN2CCNCC2)c2ccccc21
InChIInChI=1S/C15H20N4O/c1-18-15-5-3-2-4-13(15)14(17-18)10-12(20)11-19-8-6-16-7-9-19/h2-5,16H,6-11H2,1H3
InChIKeyGILRCIITIPYEEJ-UHFFFAOYSA-N
XLogP0.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 116563673
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CID 116560889
2-(1-methylindazol-3-yl)acetamide
CID 67465474
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
CID 116559522
1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
1-(1-methylindazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105111089
1-(1-methylindazol-3-yl)-4-pyridin-4-ylbutan-2-one
CID 105111013
1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105111099
1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
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2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one?
The IUPAC name of 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one (CID 116559545) is 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one?
The canonical SMILES for 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one is Cn1nc(CC(=O)CN2CCNCC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one?
The InChIKey is GILRCIITIPYEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-15-5-3-2-4-13(15)14(17-18)10-12(20)11-19-8-6-16-7-9-19/h2-5,16H,6-11H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one?
1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one has a molecular weight of 272.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one is sourced from PubChem (CID 116559545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).