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

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

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Related Compounds

1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428
4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-pyran-4-ol
CID 9817415
4-{4-[1-(2-ethoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}benzoic acid
CID 9822631
2-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)methyl)benzoic acid
CID 11211919
4-(4-Chlorophenyl)-1-[(1-methyl-1H-indol-3-yl)methyl]piperidin-4-ol
CID 44438236
[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
CID 134563650
2-Hydroxy-2,3-diphenyl-2,3-dihydro-1H-indolizinylium
CID 16236812
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-ethyl-
CID 21217
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-methyl-
CID 39131
(Z)-4-(1-benzylindol-3-yl)-2-hydroxy-4-oxo-but-2-enoic acid
CID 5743063
ethyl (Z)-4-(1-benzylindol-3-yl)-2-hydroxy-4-oxo-but-2-enoate
CID 11660295

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).