ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate

C27H27FN2O6 — CID 59862471

IUPACethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)cn1
InChIInChI=1S/C27H27FN2O6/c1-2-33-26(31)25-11-10-24(17-29-25)36-27(32)30-14-12-23(13-15-30)35-22-8-6-21(7-9-22)34-18-19-4-3-5-20(28)16-19/h3-11,16-17,23H,2,12-15,18H2,1H3
InChIKeyJYSUGNQYUCLFEF-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.02
Rot. Bonds8

About ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate

ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate (PubChem CID 59862471) has the molecular formula C27H27FN2O6 and a molecular weight of 494.52 g/mol. Its IUPAC name is ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate
PubChem CID59862471
Molecular FormulaC27H27FN2O6
Molecular Weight494.52 g/mol
Exact Mass494.19
IUPAC Nameethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)cn1
InChIInChI=1S/C27H27FN2O6/c1-2-33-26(31)25-11-10-24(17-29-25)36-27(32)30-14-12-23(13-15-30)35-22-8-6-21(7-9-22)34-18-19-4-3-5-20(28)16-19/h3-11,16-17,23H,2,12-15,18H2,1H3
InChIKeyJYSUGNQYUCLFEF-UHFFFAOYSA-N
XLogP5.02
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate?
The IUPAC name of ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate (CID 59862471) is ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate is CCOC(=O)c1ccc(OC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)cn1.
What is the InChIKey of ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate?
The InChIKey is JYSUGNQYUCLFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O6/c1-2-33-26(31)25-11-10-24(17-29-25)36-27(32)30-14-12-23(13-15-30)35-22-8-6-21(7-9-22)34-18-19-4-3-5-20(28)16-19/h3-11,16-17,23H,2,12-15,18H2,1H3.
What are the key properties of ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate?
ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate has a molecular weight of 494.52 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylate is sourced from PubChem (CID 59862471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).