methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate

C24H28N2O3 — CID 16673704

IUPACmethyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-18-7-9-20(10-8-18)24(28)11-13-25(14-12-24)15-19-16-26(17-23(27)29-2)22-6-4-3-5-21(19)22/h3-10,16,28H,11-15,17H2,1-2H3
InChIKeyREWUZBZNWJLSLL-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.61
Rot. Bonds5

About methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate

methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate (PubChem CID 16673704) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate
PubChem CID16673704
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namemethyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-18-7-9-20(10-8-18)24(28)11-13-25(14-12-24)15-19-16-26(17-23(27)29-2)22-6-4-3-5-21(19)22/h3-10,16,28H,11-15,17H2,1-2H3
InChIKeyREWUZBZNWJLSLL-UHFFFAOYSA-N
XLogP3.61
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate (CID 16673704) is methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate is COC(=O)Cn1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate?
The InChIKey is REWUZBZNWJLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-18-7-9-20(10-8-18)24(28)11-13-25(14-12-24)15-19-16-26(17-23(27)29-2)22-6-4-3-5-21(19)22/h3-10,16,28H,11-15,17H2,1-2H3.
What are the key properties of methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate?
methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate has a molecular weight of 392.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate is sourced from PubChem (CID 16673704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).