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

C26H29N3O3 — CID 21469377

IUPAC3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CCN(CCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)c2c1
InChIInChI=1S/C26H29N3O3/c1-32-20-5-7-25-22(14-20)23(16-28-25)17-8-11-29(12-9-17)10-2-3-19-15-27-24-6-4-18(26(30)31)13-21(19)24/h4-7,13-17,27-28H,2-3,8-12H2,1H3,(H,30,31)
InChIKeyDZIRVVFUONRAOE-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.17
Rot. Bonds7

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

3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid (PubChem CID 21469377) 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-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
PubChem CID21469377
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CCN(CCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)c2c1
InChIInChI=1S/C26H29N3O3/c1-32-20-5-7-25-22(14-20)23(16-28-25)17-8-11-29(12-9-17)10-2-3-19-15-27-24-6-4-18(26(30)31)13-21(19)24/h4-7,13-17,27-28H,2-3,8-12H2,1H3,(H,30,31)
InChIKeyDZIRVVFUONRAOE-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-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid (CID 21469377) is 3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid is COc1ccc2[nH]cc(C3CCN(CCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)c2c1.
What is the InChIKey of 3-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
The InChIKey is DZIRVVFUONRAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-32-20-5-7-25-22(14-20)23(16-28-25)17-8-11-29(12-9-17)10-2-3-19-15-27-24-6-4-18(26(30)31)13-21(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-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid?
3-[3-[4-(5-methoxy-1H-indol-3-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-3-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 21469377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).