1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

C26H31N5O3 — CID 38142223

IUPAC1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C26H31N5O3/c1-3-14-27-26(33)21-6-4-5-7-22(21)28-25(32)20-12-15-31(16-13-20)17-23-29-24(30-34-23)19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyJLGWCXWZTNHUIT-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.04
Rot. Bonds8

About 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 38142223) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID38142223
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C26H31N5O3/c1-3-14-27-26(33)21-6-4-5-7-22(21)28-25(32)20-12-15-31(16-13-20)17-23-29-24(30-34-23)19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyJLGWCXWZTNHUIT-UHFFFAOYSA-N
XLogP4.04
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38153957
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115317
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140358
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 38141616
N-[2-(butylcarbamoyl)phenyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38153961
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926695
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38140129
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38144186
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38148796
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927685
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927026

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 38142223) is 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide is CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is JLGWCXWZTNHUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-3-14-27-26(33)21-6-4-5-7-22(21)28-25(32)20-12-15-31(16-13-20)17-23-29-24(30-34-23)19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3,(H,27,33)(H,28,32).
What are the key properties of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38142223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).