1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one

C17H23N3O — CID 116563673

IUPAC1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one
SMILESCn1nc(CC(=O)CCC2CCCCN2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-20-17-8-3-2-7-15(17)16(19-20)12-14(21)10-9-13-6-4-5-11-18-13/h2-3,7-8,13,18H,4-6,9-12H2,1H3
InChIKeyZMUODBFYRHZGGB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.61
Rot. Bonds5

About 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one

1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one (PubChem CID 116563673) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one
PubChem CID116563673
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one
SMILESCn1nc(CC(=O)CCC2CCCCN2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-20-17-8-3-2-7-15(17)16(19-20)12-14(21)10-9-13-6-4-5-11-18-13/h2-3,7-8,13,18H,4-6,9-12H2,1H3
InChIKeyZMUODBFYRHZGGB-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560889
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 115930088
2-(1-methylindazol-3-yl)acetamide
CID 67465474
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
3-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-1-methylindazole
CID 103887087
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563570
1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 116608186

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one?
The IUPAC name of 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one (CID 116563673) is 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one?
The canonical SMILES for 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one is Cn1nc(CC(=O)CCC2CCCCN2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one?
The InChIKey is ZMUODBFYRHZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-17-8-3-2-7-15(17)16(19-20)12-14(21)10-9-13-6-4-5-11-18-13/h2-3,7-8,13,18H,4-6,9-12H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one?
1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 116563673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).