1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C25H30N2O5 — CID 46955184

IUPAC1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CCN(CC(O)c3c[nH]c4cc(OC)ccc34)CC1)O2
InChIInChI=1S/C25H30N2O5/c1-30-16-4-6-24-19(11-16)22(28)13-25(32-24)7-9-27(10-8-25)15-23(29)20-14-26-21-12-17(31-2)3-5-18(20)21/h3-6,11-12,14,22-23,26,28-29H,7-10,13,15H2,1-2H3
InChIKeyAXJSHCAYUXIJLL-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.57
Rot. Bonds5

About 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 46955184) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID46955184
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CCN(CC(O)c3c[nH]c4cc(OC)ccc34)CC1)O2
InChIInChI=1S/C25H30N2O5/c1-30-16-4-6-24-19(11-16)22(28)13-25(32-24)7-9-27(10-8-25)15-23(29)20-14-26-21-12-17(31-2)3-5-18(20)21/h3-6,11-12,14,22-23,26,28-29H,7-10,13,15H2,1-2H3
InChIKeyAXJSHCAYUXIJLL-UHFFFAOYSA-N
XLogP3.57
TPSA87.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 46955184) is 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is COc1ccc2c(c1)C(O)CC1(CCN(CC(O)c3c[nH]c4cc(OC)ccc34)CC1)O2.
What is the InChIKey of 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is AXJSHCAYUXIJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-30-16-4-6-24-19(11-16)22(28)13-25(32-24)7-9-27(10-8-25)15-23(29)20-14-26-21-12-17(31-2)3-5-18(20)21/h3-6,11-12,14,22-23,26,28-29H,7-10,13,15H2,1-2H3.
What are the key properties of 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 438.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 46955184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).