5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one

C14H17ClN2O2 — CID 2934600

IUPAC5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCC1CCN(C2(O)C(=O)Nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H17ClN2O2/c1-9-4-6-17(7-5-9)14(19)11-8-10(15)2-3-12(11)16-13(14)18/h2-3,8-9,19H,4-7H2,1H3,(H,16,18)
InChIKeyGKYJRGNRZNXLRK-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.17
Rot. Bonds1

About 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one

5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one (PubChem CID 2934600) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
PubChem CID2934600
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCC1CCN(C2(O)C(=O)Nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H17ClN2O2/c1-9-4-6-17(7-5-9)14(19)11-8-10(15)2-3-12(11)16-13(14)18/h2-3,8-9,19H,4-7H2,1H3,(H,16,18)
InChIKeyGKYJRGNRZNXLRK-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one (CID 2934600) is 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one is CC1CCN(C2(O)C(=O)Nc3ccc(Cl)cc32)CC1.
What is the InChIKey of 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
The InChIKey is GKYJRGNRZNXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-4-6-17(7-5-9)14(19)11-8-10(15)2-3-12(11)16-13(14)18/h2-3,8-9,19H,4-7H2,1H3,(H,16,18).
What are the key properties of 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 2934600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).