[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone

C31H36N2O2 — CID 101469202

IUPAC[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
SMILESCc1ccc2c(c1)[C@H](ON1C(C)(C)CCCC1(C)C)[C@@H](c1ccccc1)N2C(=O)c1ccccc1
InChIInChI=1S/C31H36N2O2/c1-22-17-18-26-25(21-22)28(35-33-30(2,3)19-12-20-31(33,4)5)27(23-13-8-6-9-14-23)32(26)29(34)24-15-10-7-11-16-24/h6-11,13-18,21,27-28H,12,19-20H2,1-5H3/t27-,28+/m1/s1
InChIKeySEJTYCLFUYSFCZ-IZLXSDGUSA-N
MW468.64 g/mol
LogP7.41
Rot. Bonds4

About [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone

[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone (PubChem CID 101469202) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
PubChem CID101469202
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC Name[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
SMILESCc1ccc2c(c1)[C@H](ON1C(C)(C)CCCC1(C)C)[C@@H](c1ccccc1)N2C(=O)c1ccccc1
InChIInChI=1S/C31H36N2O2/c1-22-17-18-26-25(21-22)28(35-33-30(2,3)19-12-20-31(33,4)5)27(23-13-8-6-9-14-23)32(26)29(34)24-15-10-7-11-16-24/h6-11,13-18,21,27-28H,12,19-20H2,1-5H3/t27-,28+/m1/s1
InChIKeySEJTYCLFUYSFCZ-IZLXSDGUSA-N
XLogP7.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
The IUPAC name of [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone (CID 101469202) is [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
The canonical SMILES for [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone is Cc1ccc2c(c1)[C@H](ON1C(C)(C)CCCC1(C)C)[C@@H](c1ccccc1)N2C(=O)c1ccccc1.
What is the InChIKey of [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
The InChIKey is SEJTYCLFUYSFCZ-IZLXSDGUSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-22-17-18-26-25(21-22)28(35-33-30(2,3)19-12-20-31(33,4)5)27(23-13-8-6-9-14-23)32(26)29(34)24-15-10-7-11-16-24/h6-11,13-18,21,27-28H,12,19-20H2,1-5H3/t27-,28+/m1/s1.
What are the key properties of [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone has a molecular weight of 468.64 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone is sourced from PubChem (CID 101469202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).