3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one

C16H23N3O2 — CID 81300300

IUPAC3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one
SMILESCN1CCC(N(C)c2ccc3c(c2)N(C)C(=O)C3O)CC1
InChIInChI=1S/C16H23N3O2/c1-17-8-6-11(7-9-17)18(2)12-4-5-13-14(10-12)19(3)16(21)15(13)20/h4-5,10-11,15,20H,6-9H2,1-3H3
InChIKeyRZGBVVQFGAPLNA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.23
Rot. Bonds2

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

3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one (PubChem CID 81300300) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one
PubChem CID81300300
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one
SMILESCN1CCC(N(C)c2ccc3c(c2)N(C)C(=O)C3O)CC1
InChIInChI=1S/C16H23N3O2/c1-17-8-6-11(7-9-17)18(2)12-4-5-13-14(10-12)19(3)16(21)15(13)20/h4-5,10-11,15,20H,6-9H2,1-3H3
InChIKeyRZGBVVQFGAPLNA-UHFFFAOYSA-N
XLogP1.23
TPSA47.02 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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one (CID 81300300) is 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one is CN1CCC(N(C)c2ccc3c(c2)N(C)C(=O)C3O)CC1.
What is the InChIKey of 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one?
The InChIKey is RZGBVVQFGAPLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-8-6-11(7-9-17)18(2)12-4-5-13-14(10-12)19(3)16(21)15(13)20/h4-5,10-11,15,20H,6-9H2,1-3H3.
What are the key properties of 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one?
3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one is sourced from PubChem (CID 81300300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).