ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate

C26H31N3O6 — CID 54739748

IUPACethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C26H31N3O6/c1-4-34-26(32)28-12-10-27(11-13-28)24(19-7-5-8-20(16-19)33-3)23-22(30)15-18(2)29(25(23)31)17-21-9-6-14-35-21/h5-9,14-16,24,30H,4,10-13,17H2,1-3H3/t24-/m0/s1
InChIKeyYZSGFTPKWFALEO-DEOSSOPVSA-N
MW481.55 g/mol
LogP3.38
Rot. Bonds7

About ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate

ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate (PubChem CID 54739748) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
PubChem CID54739748
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC Nameethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C26H31N3O6/c1-4-34-26(32)28-12-10-27(11-13-28)24(19-7-5-8-20(16-19)33-3)23-22(30)15-18(2)29(25(23)31)17-21-9-6-14-35-21/h5-9,14-16,24,30H,4,10-13,17H2,1-3H3/t24-/m0/s1
InChIKeyYZSGFTPKWFALEO-DEOSSOPVSA-N
XLogP3.38
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 54739504
ethyl 4-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylsulfanylphenyl)methyl]piperazine-1-carboxylate
CID 54692758
3-[(R)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739812
3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739813
3-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 92526442
ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate
CID 54692673
3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 92526430
1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692764
ethyl 4-[(S)-(4-chlorophenyl)-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 54739380
1-ethyl-3-[(S)-[4-(2-fluorophenyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739334
3-[[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54692755
3-[(S)-[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739508

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate (CID 54739748) is ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1.
What is the InChIKey of ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is YZSGFTPKWFALEO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-4-34-26(32)28-12-10-27(11-13-28)24(19-7-5-8-20(16-19)33-3)23-22(30)15-18(2)29(25(23)31)17-21-9-6-14-35-21/h5-9,14-16,24,30H,4,10-13,17H2,1-3H3/t24-/m0/s1.
What are the key properties of ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?
ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 54739748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).