2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid

C24H28N2O3 — CID 23444870

IUPAC2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H28N2O3/c27-24(28)16-18-5-3-6-20(15-18)29-14-4-11-26-12-9-19(10-13-26)22-17-25-23-8-2-1-7-21(22)23/h1-3,5-8,15,17,19,25H,4,9-14,16H2,(H,27,28)
InChIKeyJIDPRKZOSRHXNH-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.44
Rot. Bonds8

About 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid

2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid (PubChem CID 23444870) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid
PubChem CID23444870
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H28N2O3/c27-24(28)16-18-5-3-6-20(15-18)29-14-4-11-26-12-9-19(10-13-26)22-17-25-23-8-2-1-7-21(22)23/h1-3,5-8,15,17,19,25H,4,9-14,16H2,(H,27,28)
InChIKeyJIDPRKZOSRHXNH-UHFFFAOYSA-N
XLogP4.44
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid (CID 23444870) is 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid is O=C(O)Cc1cccc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid?
The InChIKey is JIDPRKZOSRHXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-24(28)16-18-5-3-6-20(15-18)29-14-4-11-26-12-9-19(10-13-26)22-17-25-23-8-2-1-7-21(22)23/h1-3,5-8,15,17,19,25H,4,9-14,16H2,(H,27,28).
What are the key properties of 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid?
2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid has a molecular weight of 392.50 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid is sourced from PubChem (CID 23444870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).