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

C19H23FN4O3 — CID 24792144

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)no1
InChIInChI=1S/C19H23FN4O3/c1-2-17-22-16(23-27-17)11-21-19(26)14-6-7-18(25)24(12-14)9-8-13-4-3-5-15(20)10-13/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,21,26)
InChIKeyYWDZNSIFRFTTTJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.87
Rot. Bonds7

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24792144) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24792144
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)no1
InChIInChI=1S/C19H23FN4O3/c1-2-17-22-16(23-27-17)11-21-19(26)14-6-7-18(25)24(12-14)9-8-13-4-3-5-15(20)10-13/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,21,26)
InChIKeyYWDZNSIFRFTTTJ-UHFFFAOYSA-N
XLogP1.87
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24792144) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is CCc1nc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is YWDZNSIFRFTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-17-22-16(23-27-17)11-21-19(26)14-6-7-18(25)24(12-14)9-8-13-4-3-5-15(20)10-13/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,21,26).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24792144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).