2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone

C16H21N3O2 — CID 126420962

IUPAC2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2nn(C)c3ccccc23)CC1
InChIInChI=1S/C16H21N3O2/c1-12-7-9-19(10-8-12)15(20)11-21-16-13-5-3-4-6-14(13)18(2)17-16/h3-6,12H,7-11H2,1-2H3
InChIKeyKTGSNKSLOYHGKM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.21
Rot. Bonds3

About 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone

2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 126420962) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID126420962
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2nn(C)c3ccccc23)CC1
InChIInChI=1S/C16H21N3O2/c1-12-7-9-19(10-8-12)15(20)11-21-16-13-5-3-4-6-14(13)18(2)17-16/h3-6,12H,7-11H2,1-2H3
InChIKeyKTGSNKSLOYHGKM-UHFFFAOYSA-N
XLogP2.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 100816548
2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one
CID 126837271
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 24686254
2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 2438026
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113079057

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (CID 126420962) is 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COc2nn(C)c3ccccc23)CC1.
What is the InChIKey of 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KTGSNKSLOYHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-7-9-19(10-8-12)15(20)11-21-16-13-5-3-4-6-14(13)18(2)17-16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 126420962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).