2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid

C24H28N2O3 — CID 90465859

IUPAC2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(CC(=O)O)cc1
InChIInChI=1S/C24H28N2O3/c1-16-13-22(29-2)20(19-10-11-25-24(16)19)15-26-12-4-3-5-21(26)18-8-6-17(7-9-18)14-23(27)28/h6-11,13,21,25H,3-5,12,14-15H2,1-2H3,(H,27,28)
InChIKeyUKTVVFRPPPWVAF-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.84
Rot. Bonds6

About 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid

2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid (PubChem CID 90465859) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid
PubChem CID90465859
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(CC(=O)O)cc1
InChIInChI=1S/C24H28N2O3/c1-16-13-22(29-2)20(19-10-11-25-24(16)19)15-26-12-4-3-5-21(26)18-8-6-17(7-9-18)14-23(27)28/h6-11,13,21,25H,3-5,12,14-15H2,1-2H3,(H,27,28)
InChIKeyUKTVVFRPPPWVAF-UHFFFAOYSA-N
XLogP4.84
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid (CID 90465859) is 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid is COc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid?
The InChIKey is UKTVVFRPPPWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-13-22(29-2)20(19-10-11-25-24(16)19)15-26-12-4-3-5-21(26)18-8-6-17(7-9-18)14-23(27)28/h6-11,13,21,25H,3-5,12,14-15H2,1-2H3,(H,27,28).
What are the key properties of 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid?
2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid has a molecular weight of 392.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]acetic acid is sourced from PubChem (CID 90465859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).