6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one

C16H22N2O2 — CID 81308996

IUPAC6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCCC1CCCCN1c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C16H22N2O2/c1-3-11-6-4-5-9-18(11)12-7-8-13-14(10-12)17(2)16(20)15(13)19/h7-8,10-11,15,19H,3-6,9H2,1-2H3
InChIKeyVGOWDKYTPJVAIX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.47
Rot. Bonds2

About 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one

6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81308996) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81308996
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCCC1CCCCN1c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C16H22N2O2/c1-3-11-6-4-5-9-18(11)12-7-8-13-14(10-12)17(2)16(20)15(13)19/h7-8,10-11,15,19H,3-6,9H2,1-2H3
InChIKeyVGOWDKYTPJVAIX-UHFFFAOYSA-N
XLogP2.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione
CID 83044090
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
5-(2-ethylpiperidin-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603663
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
CID 81308775
[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297
(E)-3-[4-(2-ethylazepan-1-yl)phenyl]prop-2-enoic acid
CID 104690853

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one (CID 81308996) is 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one is CCC1CCCCN1c1ccc2c(c1)N(C)C(=O)C2O.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is VGOWDKYTPJVAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-6-4-5-9-18(11)12-7-8-13-14(10-12)17(2)16(20)15(13)19/h7-8,10-11,15,19H,3-6,9H2,1-2H3.
What are the key properties of 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81308996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).