ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C27H34N2O4 — CID 54733849

IUPACethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)CN2CCCCC2)C1c1ccccc1
InChIInChI=1S/C27H34N2O4/c1-2-33-27(32)25-23(30)18-22(20-12-6-3-7-13-20)29(26(25)21-14-8-4-9-15-21)24(31)19-28-16-10-5-11-17-28/h3-4,6-9,12-15,22,24,26,30-31H,2,5,10-11,16-19H2,1H3
InChIKeyZBYTYVMPWJPWOU-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.35
Rot. Bonds7

About ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 54733849) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID54733849
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Nameethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)CN2CCCCC2)C1c1ccccc1
InChIInChI=1S/C27H34N2O4/c1-2-33-27(32)25-23(30)18-22(20-12-6-3-7-13-20)29(26(25)21-14-8-4-9-15-21)24(31)19-28-16-10-5-11-17-28/h3-4,6-9,12-15,22,24,26,30-31H,2,5,10-11,16-19H2,1H3
InChIKeyZBYTYVMPWJPWOU-UHFFFAOYSA-N
XLogP4.35
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 54733849) is ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)CN2CCCCC2)C1c1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is ZBYTYVMPWJPWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-2-33-27(32)25-23(30)18-22(20-12-6-3-7-13-20)29(26(25)21-14-8-4-9-15-21)24(31)19-28-16-10-5-11-17-28/h3-4,6-9,12-15,22,24,26,30-31H,2,5,10-11,16-19H2,1H3.
What are the key properties of ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 450.58 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylethyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 54733849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).