methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate

C19H22FN3O4 — CID 52936181

IUPACmethyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccn(Cc3cccc(F)c3)c(=O)c2O)CC1
InChIInChI=1S/C19H22FN3O4/c1-27-19(26)22-9-7-21(8-10-22)13-15-5-6-23(18(25)17(15)24)12-14-3-2-4-16(20)11-14/h2-6,11,24H,7-10,12-13H2,1H3
InChIKeyYWJJSWXOIBOSSF-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.63
Rot. Bonds4

About methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate

methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate (PubChem CID 52936181) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
PubChem CID52936181
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccn(Cc3cccc(F)c3)c(=O)c2O)CC1
InChIInChI=1S/C19H22FN3O4/c1-27-19(26)22-9-7-21(8-10-22)13-15-5-6-23(18(25)17(15)24)12-14-3-2-4-16(20)11-14/h2-6,11,24H,7-10,12-13H2,1H3
InChIKeyYWJJSWXOIBOSSF-UHFFFAOYSA-N
XLogP1.63
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate (CID 52936181) is methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2ccn(Cc3cccc(F)c3)c(=O)c2O)CC1.
What is the InChIKey of methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
The InChIKey is YWJJSWXOIBOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-27-19(26)22-9-7-21(8-10-22)13-15-5-6-23(18(25)17(15)24)12-14-3-2-4-16(20)11-14/h2-6,11,24H,7-10,12-13H2,1H3.
What are the key properties of methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 52936181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).