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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Related Compounds

5-methoxy-N-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide
CID 22390777
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
3-anilino-4-[2-[4-(phenoxymethyl)piperidin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione
CID 11327200
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 63971546
3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 68710696
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
CID 165429389
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
N-benzyl-2-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]acetamide
CID 20585899
1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61205326

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).