ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate

C20H26FN3O4 — CID 163892449

IUPACethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2C=CN(Cc3ccc(F)cc3)C(=O)C2O)CC1
InChIInChI=1S/C20H26FN3O4/c1-2-28-20(27)23-11-9-22(10-12-23)14-16-7-8-24(19(26)18(16)25)13-15-3-5-17(21)6-4-15/h3-8,16,18,25H,2,9-14H2,1H3
InChIKeyQCSCZOSFVVKDTM-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.43
Rot. Bonds5

About ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate (PubChem CID 163892449) has the molecular formula C20H26FN3O4 and a molecular weight of 391.44 g/mol. Its IUPAC name is ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate
PubChem CID163892449
Molecular FormulaC20H26FN3O4
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Nameethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2C=CN(Cc3ccc(F)cc3)C(=O)C2O)CC1
InChIInChI=1S/C20H26FN3O4/c1-2-28-20(27)23-11-9-22(10-12-23)14-16-7-8-24(19(26)18(16)25)13-15-3-5-17(21)6-4-15/h3-8,16,18,25H,2,9-14H2,1H3
InChIKeyQCSCZOSFVVKDTM-UHFFFAOYSA-N
XLogP1.43
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 2-[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridin-3-yl]acetate
CID 102287686
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
ethyl 4-[3-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperazine-1-carboxylate
CID 91821646
ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530680
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
ethyl 4-[(3-cyano-4-fluorophenyl)methyl]piperazine-1-carboxylate
CID 68765124
ethyl 4-[[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 87015684
ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate
CID 167785062

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate (CID 163892449) is ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC2C=CN(Cc3ccc(F)cc3)C(=O)C2O)CC1.
What is the InChIKey of ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate?
The InChIKey is QCSCZOSFVVKDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O4/c1-2-28-20(27)23-11-9-22(10-12-23)14-16-7-8-24(19(26)18(16)25)13-15-3-5-17(21)6-4-15/h3-8,16,18,25H,2,9-14H2,1H3.
What are the key properties of ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate has a molecular weight of 391.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3,4-dihydropyridin-4-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 163892449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).