N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

C30H39N5O3 — CID 43932139

IUPACN-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)C1
InChIInChI=1S/C30H39N5O3/c1-29(2,3)22-15-13-20(14-16-22)26-32-25(38-34-26)19-35-17-9-10-21(18-35)27(36)31-24-12-8-7-11-23(24)28(37)33-30(4,5)6/h7-8,11-16,21H,9-10,17-19H2,1-6H3,(H,31,36)(H,33,37)
InChIKeyHLWATOVGILEVSN-UHFFFAOYSA-N
MW517.67 g/mol
LogP5.41
Rot. Bonds6

About N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43932139) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43932139
Molecular FormulaC30H39N5O3
Molecular Weight517.67 g/mol
Exact Mass517.31
IUPAC NameN-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)C1
InChIInChI=1S/C30H39N5O3/c1-29(2,3)22-15-13-20(14-16-22)26-32-25(38-34-26)19-35-17-9-10-21(18-35)27(36)31-24-12-8-7-11-23(24)28(37)33-30(4,5)6/h7-8,11-16,21H,9-10,17-19H2,1-6H3,(H,31,36)(H,33,37)
InChIKeyHLWATOVGILEVSN-UHFFFAOYSA-N
XLogP5.41
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931715
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43932069
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43931962
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 43932123
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927026
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43931975
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931833
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931688
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43930918
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-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 43932085
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43932116

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43932139) is N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)C1.
What is the InChIKey of N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is HLWATOVGILEVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3/c1-29(2,3)22-15-13-20(14-16-22)26-32-25(38-34-26)19-35-17-9-10-21(18-35)27(36)31-24-12-8-7-11-23(24)28(37)33-30(4,5)6/h7-8,11-16,21H,9-10,17-19H2,1-6H3,(H,31,36)(H,33,37).
What are the key properties of N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 517.67 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43932139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).