methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate

C24H28N2O4 — CID 56634055

IUPACmethyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(O)CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H28N2O4/c1-29-24(28)20-7-3-5-9-23(20)30-16-18(27)15-26-12-10-17(11-13-26)21-14-25-22-8-4-2-6-19(21)22/h2-9,14,17-18,25,27H,10-13,15-16H2,1H3
InChIKeyASWOEMXVRVNWJL-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.57
Rot. Bonds7

About methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate

methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate (PubChem CID 56634055) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
PubChem CID56634055
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Namemethyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(O)CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H28N2O4/c1-29-24(28)20-7-3-5-9-23(20)30-16-18(27)15-26-12-10-17(11-13-26)21-14-25-22-8-4-2-6-19(21)22/h2-9,14,17-18,25,27H,10-13,15-16H2,1H3
InChIKeyASWOEMXVRVNWJL-UHFFFAOYSA-N
XLogP3.57
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate with MolForge

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Related Compounds

1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 70491898
1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone
CID 17437228
methyl 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 10135790
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol
CID 23392120
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
(2R)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125145329
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 126807342
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978
1-[2-[3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 138959623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate?
The IUPAC name of methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate (CID 56634055) is methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate?
The canonical SMILES for methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate is COC(=O)c1ccccc1OCC(O)CN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate?
The InChIKey is ASWOEMXVRVNWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-29-24(28)20-7-3-5-9-23(20)30-16-18(27)15-26-12-10-17(11-13-26)21-14-25-22-8-4-2-6-19(21)22/h2-9,14,17-18,25,27H,10-13,15-16H2,1H3.
What are the key properties of methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate?
methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate has a molecular weight of 408.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate is sourced from PubChem (CID 56634055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).