ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate

C23H25FN4O3 — CID 45106832

IUPACethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H25FN4O3/c1-2-30-23(29)28-14-12-19(13-15-28)25-20(16-8-10-18(24)11-9-16)22-27-26-21(31-22)17-6-4-3-5-7-17/h3-11,19-20,25H,2,12-15H2,1H3
InChIKeyVJUIRWMEVDLZKI-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.18
Rot. Bonds6

About ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate

ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate (PubChem CID 45106832) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate
PubChem CID45106832
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Nameethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H25FN4O3/c1-2-30-23(29)28-14-12-19(13-15-28)25-20(16-8-10-18(24)11-9-16)22-27-26-21(31-22)17-6-4-3-5-7-17/h3-11,19-20,25H,2,12-15H2,1H3
InChIKeyVJUIRWMEVDLZKI-UHFFFAOYSA-N
XLogP4.18
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

CID 25093466
CID 25093466
CID 10120133
CID 10120133
CID 10164962
CID 10164962
CID 10165557
CID 10165557
CID 10165939
CID 10165939
CID 3959338
CID 3959338
CID 10164961
CID 10164961
CID 10230391
CID 10230391
CID 10302710
CID 10302710
CID 25093467
CID 25093467
CID 2487892
CID 2487892
CID 15990192
CID 15990192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate (CID 45106832) is ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
The InChIKey is VJUIRWMEVDLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-2-30-23(29)28-14-12-19(13-15-28)25-20(16-8-10-18(24)11-9-16)22-27-26-21(31-22)17-6-4-3-5-7-17/h3-11,19-20,25H,2,12-15H2,1H3.
What are the key properties of ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate has a molecular weight of 424.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 45106832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).