2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid

C24H28N2O2 — CID 44537912

IUPAC2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c1-18-22(17-24(27)28)21-9-5-6-10-23(21)26(18)20-12-15-25(16-13-20)14-11-19-7-3-2-4-8-19/h2-10,20H,11-17H2,1H3,(H,27,28)
InChIKeyDQZRMPUTVVQKAA-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.46
Rot. Bonds6

About 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid

2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid (PubChem CID 44537912) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid
PubChem CID44537912
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c1-18-22(17-24(27)28)21-9-5-6-10-23(21)26(18)20-12-15-25(16-13-20)14-11-19-7-3-2-4-8-19/h2-10,20H,11-17H2,1H3,(H,27,28)
InChIKeyDQZRMPUTVVQKAA-UHFFFAOYSA-N
XLogP4.46
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid (CID 44537912) is 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid is Cc1c(CC(=O)O)c2ccccc2n1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid?
The InChIKey is DQZRMPUTVVQKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-18-22(17-24(27)28)21-9-5-6-10-23(21)26(18)20-12-15-25(16-13-20)14-11-19-7-3-2-4-8-19/h2-10,20H,11-17H2,1H3,(H,27,28).
What are the key properties of 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid?
2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid has a molecular weight of 376.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]indol-3-yl]acetic acid is sourced from PubChem (CID 44537912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).