2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one

C23H30N2O — CID 21178050

IUPAC2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one
SMILESCC1(C)CC(n2c(-c3ccccc3)cc3c2CCCC3=O)CC(C)(C)N1
InChIInChI=1S/C23H30N2O/c1-22(2)14-17(15-23(3,4)24-22)25-19-11-8-12-21(26)18(19)13-20(25)16-9-6-5-7-10-16/h5-7,9-10,13,17,24H,8,11-12,14-15H2,1-4H3
InChIKeyKMHGGJHPFCRNHJ-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.16
Rot. Bonds2

About 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one

2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one (PubChem CID 21178050) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one
PubChem CID21178050
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one
SMILESCC1(C)CC(n2c(-c3ccccc3)cc3c2CCCC3=O)CC(C)(C)N1
InChIInChI=1S/C23H30N2O/c1-22(2)14-17(15-23(3,4)24-22)25-19-11-8-12-21(26)18(19)13-20(25)16-9-6-5-7-10-16/h5-7,9-10,13,17,24H,8,11-12,14-15H2,1-4H3
InChIKeyKMHGGJHPFCRNHJ-UHFFFAOYSA-N
XLogP5.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one (CID 21178050) is 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one is CC1(C)CC(n2c(-c3ccccc3)cc3c2CCCC3=O)CC(C)(C)N1.
What is the InChIKey of 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is KMHGGJHPFCRNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-22(2)14-17(15-23(3,4)24-22)25-19-11-8-12-21(26)18(19)13-20(25)16-9-6-5-7-10-16/h5-7,9-10,13,17,24H,8,11-12,14-15H2,1-4H3.
What are the key properties of 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one?
2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 350.51 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 21178050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).