2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid

C23H26N2O2 — CID 45484431

IUPAC2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2O2/c1-17-21(15-23(26)27)20-9-5-6-10-22(20)25(17)19-11-13-24(14-12-19)16-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,26,27)
InChIKeyVBPQQBGACUQLOG-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.41
Rot. Bonds5

About 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid

2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid (PubChem CID 45484431) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid
PubChem CID45484431
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2O2/c1-17-21(15-23(26)27)20-9-5-6-10-22(20)25(17)19-11-13-24(14-12-19)16-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,26,27)
InChIKeyVBPQQBGACUQLOG-UHFFFAOYSA-N
XLogP4.41
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic 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 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid (CID 45484431) is 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2ccccc2n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid?
The InChIKey is VBPQQBGACUQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-21(15-23(26)27)20-9-5-6-10-22(20)25(17)19-11-13-24(14-12-19)16-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,26,27).
What are the key properties of 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid?
2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzylpiperidin-4-yl)-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 45484431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).