5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

C22H26N2O2 — CID 14819328

IUPAC5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESCOc1ccccc1C1CCN(CCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C22H26N2O2/c1-26-21-5-3-2-4-19(21)17-9-12-24(13-10-17)11-8-16-6-7-20-18(14-16)15-22(25)23-20/h2-7,14,17H,8-13,15H2,1H3,(H,23,25)
InChIKeyNIHMHADMLFABQL-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.61
Rot. Bonds5

About 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 14819328) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID14819328
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESCOc1ccccc1C1CCN(CCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C22H26N2O2/c1-26-21-5-3-2-4-19(21)17-9-12-24(13-10-17)11-8-16-6-7-20-18(14-16)15-22(25)23-20/h2-7,14,17H,8-13,15H2,1H3,(H,23,25)
InChIKeyNIHMHADMLFABQL-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 14819328) is 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is COc1ccccc1C1CCN(CCc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is NIHMHADMLFABQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-21-5-3-2-4-19(21)17-9-12-24(13-10-17)11-8-16-6-7-20-18(14-16)15-22(25)23-20/h2-7,14,17H,8-13,15H2,1H3,(H,23,25).
What are the key properties of 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 14819328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).