1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione

C16H21N3O2 — CID 81300341

IUPAC1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione
SMILESCN1CCC(N(C)c2ccc3c(c2)N(C)C(=O)C3=O)CC1
InChIInChI=1S/C16H21N3O2/c1-17-8-6-11(7-9-17)18(2)12-4-5-13-14(10-12)19(3)16(21)15(13)20/h4-5,10-11H,6-9H2,1-3H3
InChIKeyXOFJVIAJNREFEW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.38
Rot. Bonds2

About 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione

1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione (PubChem CID 81300341) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione.

Molecular Properties

Compound Name1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione
PubChem CID81300341
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione
SMILESCN1CCC(N(C)c2ccc3c(c2)N(C)C(=O)C3=O)CC1
InChIInChI=1S/C16H21N3O2/c1-17-8-6-11(7-9-17)18(2)12-4-5-13-14(10-12)19(3)16(21)15(13)20/h4-5,10-11H,6-9H2,1-3H3
InChIKeyXOFJVIAJNREFEW-UHFFFAOYSA-N
XLogP1.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione?
The IUPAC name of 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione (CID 81300341) is 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione.
What is the SMILES notation for 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione?
The canonical SMILES for 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione is CN1CCC(N(C)c2ccc3c(c2)N(C)C(=O)C3=O)CC1.
What is the InChIKey of 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione?
The InChIKey is XOFJVIAJNREFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-8-6-11(7-9-17)18(2)12-4-5-13-14(10-12)19(3)16(21)15(13)20/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione?
1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione has a molecular weight of 287.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]indole-2,3-dione is sourced from PubChem (CID 81300341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).