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

C28H36N2O4 — CID 54733862

IUPACethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)C(C)N2CCCCC2)C1c1ccccc1
InChIInChI=1S/C28H36N2O4/c1-3-34-28(33)25-24(31)19-23(21-13-7-4-8-14-21)30(26(25)22-15-9-5-10-16-22)27(32)20(2)29-17-11-6-12-18-29/h4-5,7-10,13-16,20,23,26-27,31-32H,3,6,11-12,17-19H2,1-2H3
InChIKeyBZVNIMPLZFMGDD-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.74
Rot. Bonds7

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

ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 54733862) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID54733862
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Nameethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)C(C)N2CCCCC2)C1c1ccccc1
InChIInChI=1S/C28H36N2O4/c1-3-34-28(33)25-24(31)19-23(21-13-7-4-8-14-21)30(26(25)22-15-9-5-10-16-22)27(32)20(2)29-17-11-6-12-18-29/h4-5,7-10,13-16,20,23,26-27,31-32H,3,6,11-12,17-19H2,1-2H3
InChIKeyBZVNIMPLZFMGDD-UHFFFAOYSA-N
XLogP4.74
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.74
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-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 54733862) is ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-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-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)C(C)N2CCCCC2)C1c1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is BZVNIMPLZFMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4/c1-3-34-28(33)25-24(31)19-23(21-13-7-4-8-14-21)30(26(25)22-15-9-5-10-16-22)27(32)20(2)29-17-11-6-12-18-29/h4-5,7-10,13-16,20,23,26-27,31-32H,3,6,11-12,17-19H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-hydroxy-1-(1-hydroxy-2-piperidin-1-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 464.61 g/mol, XLogP of 4.74, 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-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 54733862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).