3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid

C26H29N3O3 — CID 22364674

IUPAC3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
SMILESCOc1ccc2[nH]c(C3CCN(CCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)cc2c1
InChIInChI=1S/C26H29N3O3/c1-32-21-5-7-23-20(13-21)15-25(28-23)17-8-11-29(12-9-17)10-2-3-19-16-27-24-6-4-18(26(30)31)14-22(19)24/h4-7,13-17,27-28H,2-3,8-12H2,1H3,(H,30,31)
InChIKeyHDDQMXQEMHTLCG-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.17
Rot. Bonds7

About 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid

3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid (PubChem CID 22364674) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
PubChem CID22364674
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
SMILESCOc1ccc2[nH]c(C3CCN(CCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)cc2c1
InChIInChI=1S/C26H29N3O3/c1-32-21-5-7-23-20(13-21)15-25(28-23)17-8-11-29(12-9-17)10-2-3-19-16-27-24-6-4-18(26(30)31)14-22(19)24/h4-7,13-17,27-28H,2-3,8-12H2,1H3,(H,30,31)
InChIKeyHDDQMXQEMHTLCG-UHFFFAOYSA-N
XLogP5.17
TPSA81.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid with MolForge

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Related Compounds

3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
3-[4-[3-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883226
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
CID 21469370
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080
3-[4-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67713635
3-[4-(9-hydroxy-1,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydroindeno[2,1-c]pyridin-2-yl)butyl]-1H-indole-5-carboxylic acid
CID 57109142
3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
CID 22364696

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid (CID 22364674) is 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid is COc1ccc2[nH]c(C3CCN(CCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)cc2c1.
What is the InChIKey of 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
The InChIKey is HDDQMXQEMHTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-32-21-5-7-23-20(13-21)15-25(28-23)17-8-11-29(12-9-17)10-2-3-19-16-27-24-6-4-18(26(30)31)14-22(19)24/h4-7,13-17,27-28H,2-3,8-12H2,1H3,(H,30,31).
What are the key properties of 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid has a molecular weight of 431.54 g/mol, XLogP of 5.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 22364674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).