methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate

C20H20FNO6 — CID 42227172

IUPACmethyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C20H20FNO6/c1-26-20(25)14-6-8-22(9-7-14)19(24)17-10-16(23)18(12-28-17)27-11-13-2-4-15(21)5-3-13/h2-5,10,12,14H,6-9,11H2,1H3
InChIKeyXNVZCBMICYLOIS-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.38
Rot. Bonds5

About methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate

methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate (PubChem CID 42227172) has the molecular formula C20H20FNO6 and a molecular weight of 389.38 g/mol. Its IUPAC name is methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate
PubChem CID42227172
Molecular FormulaC20H20FNO6
Molecular Weight389.38 g/mol
Exact Mass389.13
IUPAC Namemethyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C20H20FNO6/c1-26-20(25)14-6-8-22(9-7-14)19(24)17-10-16(23)18(12-28-17)27-11-13-2-4-15(21)5-3-13/h2-5,10,12,14H,6-9,11H2,1H3
InChIKeyXNVZCBMICYLOIS-UHFFFAOYSA-N
XLogP2.38
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate (CID 42227172) is methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1.
What is the InChIKey of methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is XNVZCBMICYLOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO6/c1-26-20(25)14-6-8-22(9-7-14)19(24)17-10-16(23)18(12-28-17)27-11-13-2-4-15(21)5-3-13/h2-5,10,12,14H,6-9,11H2,1H3.
What are the key properties of methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate?
methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 389.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42227172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).