5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one

C82H89BrN8O11 — CID 157279319

IUPAC5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one
SMILESCOC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1.COc1ccc2[nH]cc(C3=CCN(Cc4ccc(C(=O)O)cc4)CC3)c2c1.COc1ccc2[nH]cc(C3=CCNCC3)c2c1.COc1ccc2[nH]ccc2c1.O=C1CCNCC1
InChIInChI=1S/C23H24N2O3.C22H22N2O3.C14H16N2O.C9H9BrO2.C9H9NO.C5H9NO/c1-27-19-7-8-22-20(13-19)21(14-24-22)17-9-11-25(12-10-17)15-16-3-5-18(6-4-16)23(26)28-2;1-27-18-6-7-21-19(12-18)20(13-23-21)16-8-10-24(11-9-16)14-15-2-4-17(5-3-15)22(25)26;1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;1-12-9(11)8-4-2-7(6-10)3-5-8;1-11-8-2-3-9-7(6-8)4-5-10-9;7-5-1-3-6-4-2-5/h3-9,13-14,24H,10-12,15H2,1-2H3;2-8,12-13,23H,9-11,14H2,1H3,(H,25,26);2-4,8-9,15-16H,5-7H2,1H3;2-5H,6H2,1H3;2-6,10H,1H3;6H,1-4H2
InChIKeyAZMAHJWCTJROTC-UHFFFAOYSA-N
MW1442.56 g/mol
LogP15.45
Rot. Bonds15

About 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one

5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one (PubChem CID 157279319) has the molecular formula C82H89BrN8O11 and a molecular weight of 1442.56 g/mol. Its IUPAC name is 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one.

Molecular Properties

Compound Name5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one
PubChem CID157279319
Molecular FormulaC82H89BrN8O11
Molecular Weight1442.56 g/mol
Exact Mass1440.58
IUPAC Name5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one
SMILESCOC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1.COc1ccc2[nH]cc(C3=CCN(Cc4ccc(C(=O)O)cc4)CC3)c2c1.COc1ccc2[nH]cc(C3=CCNCC3)c2c1.COc1ccc2[nH]ccc2c1.O=C1CCNCC1
InChIInChI=1S/C23H24N2O3.C22H22N2O3.C14H16N2O.C9H9BrO2.C9H9NO.C5H9NO/c1-27-19-7-8-22-20(13-19)21(14-24-22)17-9-11-25(12-10-17)15-16-3-5-18(6-4-16)23(26)28-2;1-27-18-6-7-21-19(12-18)20(13-23-21)16-8-10-24(11-9-16)14-15-2-4-17(5-3-15)22(25)26;1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;1-12-9(11)8-4-2-7(6-10)3-5-8;1-11-8-2-3-9-7(6-8)4-5-10-9;7-5-1-3-6-4-2-5/h3-9,13-14,24H,10-12,15H2,1-2H3;2-8,12-13,23H,9-11,14H2,1H3,(H,25,26);2-4,8-9,15-16H,5-7H2,1H3;2-5H,6H2,1H3;2-6,10H,1H3;6H,1-4H2
InChIKeyAZMAHJWCTJROTC-UHFFFAOYSA-N
XLogP15.45
TPSA237.59 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001442.56
LogP ≤ 515.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one with MolForge

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Related Compounds

3-[[6-[3-[(3-methoxyphenyl)methyl]-1H-indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682158
3-[[6-[3-[(3-methoxyphenyl)methyl]-1H-indol-6-yl]-1H-indol-3-yl]methyl]benzoic acid
CID 90682160
3-[[6-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1H-indol-3-yl]methyl]benzoic acid
CID 90682159
5,5'-Terephthaloyldi(oxytryptamine) diacetate
CID 3040618
1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, (E)-2-butenedioate (2:1)
CID 6447200
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
4-[[2-methyl-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indol-5-yl]oxymethyl]benzoic acid
CID 70692245
methyl 4-[(3E)-3-[hydroxy(pyridin-3-yl)methylidene]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4,5-dioxopyrrolidin-2-yl]benzoate
CID 90036055
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
Methyl 4-(4-hydroxy-1-(2-(5-methoxy-1H-indol-3-yl)ethyl)-3-nicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
CID 131743118
5-methoxy-1H-indole;3-(5-methoxy-1H-indol-3-yl)propanoic acid;3-[5-methoxy-1-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylindol-3-yl]propanoic acid;3-[5-methoxy-1-[2-[4-(trifluoromethyl)phenyl]ethylsulfonyl]indol-3-yl]propanoic acid
CID 157563083

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one?
The IUPAC name of 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one (CID 157279319) is 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one.
What is the SMILES notation for 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one?
The canonical SMILES for 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one is COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1.COc1ccc2[nH]cc(C3=CCN(Cc4ccc(C(=O)O)cc4)CC3)c2c1.COc1ccc2[nH]cc(C3=CCNCC3)c2c1.COc1ccc2[nH]ccc2c1.O=C1CCNCC1.
What is the InChIKey of 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one?
The InChIKey is AZMAHJWCTJROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3.C22H22N2O3.C14H16N2O.C9H9BrO2.C9H9NO.C5H9NO/c1-27-19-7-8-22-20(13-19)21(14-24-22)17-9-11-25(12-10-17)15-16-3-5-18(6-4-16)23(26)28-2;1-27-18-6-7-21-19(12-18)20(13-23-21)16-8-10-24(11-9-16)14-15-2-4-17(5-3-15)22(25)26;1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;1-12-9(11)8-4-2-7(6-10)3-5-8;1-11-8-2-3-9-7(6-8)4-5-10-9;7-5-1-3-6-4-2-5/h3-9,13-14,24H,10-12,15H2,1-2H3;2-8,12-13,23H,9-11,14H2,1H3,(H,25,26);2-4,8-9,15-16H,5-7H2,1H3;2-5H,6H2,1H3;2-6,10H,1H3;6H,1-4H2.
What are the key properties of 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one?
5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one has a molecular weight of 1442.56 g/mol, XLogP of 15.45, 15 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one is sourced from PubChem (CID 157279319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).