5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide

C24H31N3O3 — CID 22390856

IUPAC5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCN(CCN1CCC(COc2ccccc2)CC1)C(=O)N1CCc2cc(O)ccc21
InChIInChI=1S/C24H31N3O3/c1-25(24(29)27-14-11-20-17-21(28)7-8-23(20)27)15-16-26-12-9-19(10-13-26)18-30-22-5-3-2-4-6-22/h2-8,17,19,28H,9-16,18H2,1H3
InChIKeyGEBXWULBHWOWIU-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.60
Rot. Bonds6

About 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide

5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 22390856) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID22390856
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCN(CCN1CCC(COc2ccccc2)CC1)C(=O)N1CCc2cc(O)ccc21
InChIInChI=1S/C24H31N3O3/c1-25(24(29)27-14-11-20-17-21(28)7-8-23(20)27)15-16-26-12-9-19(10-13-26)18-30-22-5-3-2-4-6-22/h2-8,17,19,28H,9-16,18H2,1H3
InChIKeyGEBXWULBHWOWIU-UHFFFAOYSA-N
XLogP3.60
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide (CID 22390856) is 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide is CN(CCN1CCC(COc2ccccc2)CC1)C(=O)N1CCc2cc(O)ccc21.
What is the InChIKey of 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is GEBXWULBHWOWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-25(24(29)27-14-11-20-17-21(28)7-8-23(20)27)15-16-26-12-9-19(10-13-26)18-30-22-5-3-2-4-6-22/h2-8,17,19,28H,9-16,18H2,1H3.
What are the key properties of 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide?
5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 22390856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).