3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one

C16H23N3O2 — CID 102959004

IUPAC3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
SMILESCOC1CN(c2ccc3c(c2)N(C)C(=O)C3N)CCC1C
InChIInChI=1S/C16H23N3O2/c1-10-6-7-19(9-14(10)21-3)11-4-5-12-13(8-11)18(2)16(20)15(12)17/h4-5,8,10,14-15H,6-7,9,17H2,1-3H3
InChIKeyIICLDQKUVURFLW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds2

About 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one

3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one (PubChem CID 102959004) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
PubChem CID102959004
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
SMILESCOC1CN(c2ccc3c(c2)N(C)C(=O)C3N)CCC1C
InChIInChI=1S/C16H23N3O2/c1-10-6-7-19(9-14(10)21-3)11-4-5-12-13(8-11)18(2)16(20)15(12)17/h4-5,8,10,14-15H,6-7,9,17H2,1-3H3
InChIKeyIICLDQKUVURFLW-UHFFFAOYSA-N
XLogP1.52
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one
CID 81308553
3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
CID 103496851
3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one
CID 81300740
3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
CID 81308775
3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one
CID 81301595
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline
CID 102955586
6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309665
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
1-[2-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanone
CID 114068734
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961263

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one (CID 102959004) is 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one is COC1CN(c2ccc3c(c2)N(C)C(=O)C3N)CCC1C.
What is the InChIKey of 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one?
The InChIKey is IICLDQKUVURFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-6-7-19(9-14(10)21-3)11-4-5-12-13(8-11)18(2)16(20)15(12)17/h4-5,8,10,14-15H,6-7,9,17H2,1-3H3.
What are the key properties of 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one?
3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 102959004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).