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

C18H21FN4O3 — CID 24791045

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)no1
InChIInChI=1S/C18H21FN4O3/c1-2-16-21-15(22-26-16)9-20-18(25)13-7-8-17(24)23(11-13)10-12-5-3-4-6-14(12)19/h3-6,13H,2,7-11H2,1H3,(H,20,25)
InChIKeyMQOYQYTYRCSMIF-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.83
Rot. Bonds6

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791045) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791045
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)no1
InChIInChI=1S/C18H21FN4O3/c1-2-16-21-15(22-26-16)9-20-18(25)13-7-8-17(24)23(11-13)10-12-5-3-4-6-14(12)19/h3-6,13H,2,7-11H2,1H3,(H,20,25)
InChIKeyMQOYQYTYRCSMIF-UHFFFAOYSA-N
XLogP1.83
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Cyclohexyl-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 649787
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
(R)-3-amino-1-((S)-2-(5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45102670
(2S,3S)-2-amino-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645689
(2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645700
1-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 648164
1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 662946
N-(1-benzylpiperidin-4-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236345
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3239454
(S)-N-(3-(4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415783
N-((1S)-3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590945
(R)-3-amino-1-((S)-2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487922

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791045) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is CCc1nc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is MQOYQYTYRCSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-2-16-21-15(22-26-16)9-20-18(25)13-7-8-17(24)23(11-13)10-12-5-3-4-6-14(12)19/h3-6,13H,2,7-11H2,1H3,(H,20,25).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.83, 6 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-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).