ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate

C27H31N3O4 — CID 93478774

IUPACethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](c2ccccn2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H31N3O4/c1-3-34-27(33)21-12-15-29(16-13-21)25(22-11-7-8-14-28-22)24-23(31)17-19(2)30(26(24)32)18-20-9-5-4-6-10-20/h4-11,14,17,21,25,31H,3,12-13,15-16,18H2,1-2H3/t25-/m1/s1
InChIKeyILUMHEMRNATFKG-RUZDIDTESA-N
MW461.56 g/mol
LogP3.67
Rot. Bonds7

About ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate

ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate (PubChem CID 93478774) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate
PubChem CID93478774
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Nameethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](c2ccccn2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H31N3O4/c1-3-34-27(33)21-12-15-29(16-13-21)25(22-11-7-8-14-28-22)24-23(31)17-19(2)30(26(24)32)18-20-9-5-4-6-10-20/h4-11,14,17,21,25,31H,3,12-13,15-16,18H2,1-2H3/t25-/m1/s1
InChIKeyILUMHEMRNATFKG-RUZDIDTESA-N
XLogP3.67
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-phenylmethyl]piperidine-4-carboxylate
CID 54721019
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54692667
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54739630
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
CID 54729077
3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 93478795
ethyl 1-(1-chloro-2-phenylethyl)piperidine-4-carboxylate
CID 176726308
ethyl 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylate
CID 3229294
1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766008
3-[(S)-(4-benzylpiperidin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 92526367
4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 54729189
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate (CID 93478774) is ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@H](c2ccccn2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
The InChIKey is ILUMHEMRNATFKG-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31N3O4/c1-3-34-27(33)21-12-15-29(16-13-21)25(22-11-7-8-14-28-22)24-23(31)17-19(2)30(26(24)32)18-20-9-5-4-6-10-20/h4-11,14,17,21,25,31H,3,12-13,15-16,18H2,1-2H3/t25-/m1/s1.
What are the key properties of ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate?
ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate has a molecular weight of 461.56 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(S)-(1-benzyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)-pyridin-2-ylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 93478774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).