1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide

C23H25FN4O2 — CID 43931523

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1
InChIInChI=1S/C23H25FN4O2/c1-16(17-6-3-2-4-7-17)25-23(29)19-8-5-13-28(14-19)15-21-26-22(27-30-21)18-9-11-20(24)12-10-18/h2-4,6-7,9-12,16,19H,5,8,13-15H2,1H3,(H,25,29)
InChIKeyJMINXNYYYFZUCJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.97
Rot. Bonds6

About 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 43931523) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID43931523
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1
InChIInChI=1S/C23H25FN4O2/c1-16(17-6-3-2-4-7-17)25-23(29)19-8-5-13-28(14-19)15-21-26-22(27-30-21)18-9-11-20(24)12-10-18/h2-4,6-7,9-12,16,19H,5,8,13-15H2,1H3,(H,25,29)
InChIKeyJMINXNYYYFZUCJ-UHFFFAOYSA-N
XLogP3.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931829
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 43931891
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931828
N-(1-phenylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934912
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931688
N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930963
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43933937
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43932348
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 43931800
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934372

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide (CID 43931523) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is JMINXNYYYFZUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16(17-6-3-2-4-7-17)25-23(29)19-8-5-13-28(14-19)15-21-26-22(27-30-21)18-9-11-20(24)12-10-18/h2-4,6-7,9-12,16,19H,5,8,13-15H2,1H3,(H,25,29).
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43931523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).