3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one

C17H25N3O — CID 103496851

IUPAC3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
SMILESCC(C)C1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1
InChIInChI=1S/C17H25N3O/c1-11(2)12-6-8-20(9-7-12)13-4-5-14-15(10-13)19(3)17(21)16(14)18/h4-5,10-12,16H,6-9,18H2,1-3H3
InChIKeyRWICZGPNYWJMLY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.54
Rot. Bonds2

About 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one

3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one (PubChem CID 103496851) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
PubChem CID103496851
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
SMILESCC(C)C1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1
InChIInChI=1S/C17H25N3O/c1-11(2)12-6-8-20(9-7-12)13-4-5-14-15(10-13)19(3)17(21)16(14)18/h4-5,10-12,16H,6-9,18H2,1-3H3
InChIKeyRWICZGPNYWJMLY-UHFFFAOYSA-N
XLogP2.54
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one?
The IUPAC name of 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one (CID 103496851) is 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one?
The canonical SMILES for 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one is CC(C)C1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1.
What is the InChIKey of 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one?
The InChIKey is RWICZGPNYWJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)12-6-8-20(9-7-12)13-4-5-14-15(10-13)19(3)17(21)16(14)18/h4-5,10-12,16H,6-9,18H2,1-3H3.
What are the key properties of 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one?
3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one is sourced from PubChem (CID 103496851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).