5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one

C18H24N2O2 — CID 110700531

IUPAC5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1CCCC(C)N1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C18H24N2O2/c1-11-6-5-7-12(2)20(11)16(21)13-8-9-15-14(10-13)18(3,4)17(22)19-15/h8-12H,5-7H2,1-4H3,(H,19,22)
InChIKeyIBJLDLACMFPYKU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.32
Rot. Bonds1

About 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one

5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 110700531) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID110700531
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1CCCC(C)N1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C18H24N2O2/c1-11-6-5-7-12(2)20(11)16(21)13-8-9-15-14(10-13)18(3,4)17(22)19-15/h8-12H,5-7H2,1-4H3,(H,19,22)
InChIKeyIBJLDLACMFPYKU-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one (CID 110700531) is 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one is CC1CCCC(C)N1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is IBJLDLACMFPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-6-5-7-12(2)20(11)16(21)13-8-9-15-14(10-13)18(3,4)17(22)19-15/h8-12H,5-7H2,1-4H3,(H,19,22).
What are the key properties of 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one?
5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 110700531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).