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

C22H25FN2O5 — CID 42441035

IUPACethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1
InChIInChI=1S/C22H25FN2O5/c1-3-29-22(28)16-8-10-25(11-9-16)21(27)18-12-19(26)20(13-24(18)2)30-14-15-4-6-17(23)7-5-15/h4-7,12-13,16H,3,8-11,14H2,1-2H3
InChIKeyNQEPOVOWBJEOCC-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.52
Rot. Bonds6

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

ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate (PubChem CID 42441035) has the molecular formula C22H25FN2O5 and a molecular weight of 416.45 g/mol. Its IUPAC name is ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate
PubChem CID42441035
Molecular FormulaC22H25FN2O5
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Nameethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1
InChIInChI=1S/C22H25FN2O5/c1-3-29-22(28)16-8-10-25(11-9-16)21(27)18-12-19(26)20(13-24(18)2)30-14-15-4-6-17(23)7-5-15/h4-7,12-13,16H,3,8-11,14H2,1-2H3
InChIKeyNQEPOVOWBJEOCC-UHFFFAOYSA-N
XLogP2.52
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate (CID 42441035) is ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1.
What is the InChIKey of ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is NQEPOVOWBJEOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5/c1-3-29-22(28)16-8-10-25(11-9-16)21(27)18-12-19(26)20(13-24(18)2)30-14-15-4-6-17(23)7-5-15/h4-7,12-13,16H,3,8-11,14H2,1-2H3.
What are the key properties of ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 416.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42441035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).