7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one

C16H22N2O2 — CID 3163241

IUPAC7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCCc1cccc2c1NC(=O)C2(O)N1CCCC(C)C1
InChIInChI=1S/C16H22N2O2/c1-3-12-7-4-8-13-14(12)17-15(19)16(13,20)18-9-5-6-11(2)10-18/h4,7-8,11,20H,3,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeySAOCVNPGPDQAOM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds2

About 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one

7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (PubChem CID 3163241) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
PubChem CID3163241
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCCc1cccc2c1NC(=O)C2(O)N1CCCC(C)C1
InChIInChI=1S/C16H22N2O2/c1-3-12-7-4-8-13-14(12)17-15(19)16(13,20)18-9-5-6-11(2)10-18/h4,7-8,11,20H,3,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeySAOCVNPGPDQAOM-UHFFFAOYSA-N
XLogP2.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The IUPAC name of 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (CID 3163241) is 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is CCc1cccc2c1NC(=O)C2(O)N1CCCC(C)C1.
What is the InChIKey of 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The InChIKey is SAOCVNPGPDQAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12-7-4-8-13-14(12)17-15(19)16(13,20)18-9-5-6-11(2)10-18/h4,7-8,11,20H,3,5-6,9-10H2,1-2H3,(H,17,19).
What are the key properties of 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 3163241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).