1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide

C23H23FN4O3 — CID 45183194

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C23H23FN4O3/c24-19-8-4-5-16(13-19)11-12-28-15-18(9-10-21(28)29)22(30)25-14-20-26-27-23(31-20)17-6-2-1-3-7-17/h1-8,13,18H,9-12,14-15H2,(H,25,30)
InChIKeyAHQOIHSCIVCOJJ-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.97
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 45183194) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID45183194
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C23H23FN4O3/c24-19-8-4-5-16(13-19)11-12-28-15-18(9-10-21(28)29)22(30)25-14-20-26-27-23(31-20)17-6-2-1-3-7-17/h1-8,13,18H,9-12,14-15H2,(H,25,30)
InChIKeyAHQOIHSCIVCOJJ-UHFFFAOYSA-N
XLogP2.97
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide (CID 45183194) is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide is O=C(NCc1nnc(-c2ccccc2)o1)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is AHQOIHSCIVCOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-19-8-4-5-16(13-19)11-12-28-15-18(9-10-21(28)29)22(30)25-14-20-26-27-23(31-20)17-6-2-1-3-7-17/h1-8,13,18H,9-12,14-15H2,(H,25,30).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45183194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).