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

C22H26FN3O5 — CID 42441283

IUPACethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1
InChIInChI=1S/C22H26FN3O5/c1-3-30-22(29)26-10-8-17(9-11-26)24-21(28)18-12-19(27)20(13-25(18)2)31-14-15-4-6-16(23)7-5-15/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,24,28)
InChIKeyPUQCDOYYPOFWKW-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.45
Rot. Bonds6

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

ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 42441283) has the molecular formula C22H26FN3O5 and a molecular weight of 431.46 g/mol. Its IUPAC name is ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID42441283
Molecular FormulaC22H26FN3O5
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Nameethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1
InChIInChI=1S/C22H26FN3O5/c1-3-30-22(29)26-10-8-17(9-11-26)24-21(28)18-12-19(27)20(13-25(18)2)31-14-15-4-6-16(23)7-5-15/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,24,28)
InChIKeyPUQCDOYYPOFWKW-UHFFFAOYSA-N
XLogP2.45
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 42441283) is ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1.
What is the InChIKey of ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is PUQCDOYYPOFWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5/c1-3-30-22(29)26-10-8-17(9-11-26)24-21(28)18-12-19(27)20(13-25(18)2)31-14-15-4-6-16(23)7-5-15/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,24,28).
What are the key properties of ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 431.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 42441283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).