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

C32H41N5O3 — CID 43932069

IUPAC1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)C3)n2)cc1
InChIInChI=1S/C32H41N5O3/c1-32(2,3)24-17-15-22(16-18-24)29-35-28(40-36-29)21-37-19-9-10-23(20-37)30(38)34-27-14-8-7-13-26(27)31(39)33-25-11-5-4-6-12-25/h7-8,13-18,23,25H,4-6,9-12,19-21H2,1-3H3,(H,33,39)(H,34,38)
InChIKeyVIBQHWPGJDXOME-UHFFFAOYSA-N
MW543.71 g/mol
LogP5.95
Rot. Bonds7

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

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43932069) has the molecular formula C32H41N5O3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43932069
Molecular FormulaC32H41N5O3
Molecular Weight543.71 g/mol
Exact Mass543.32
IUPAC Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)C3)n2)cc1
InChIInChI=1S/C32H41N5O3/c1-32(2,3)24-17-15-22(16-18-24)29-35-28(40-36-29)21-37-19-9-10-23(20-37)30(38)34-27-14-8-7-13-26(27)31(39)33-25-11-5-4-6-12-25/h7-8,13-18,23,25H,4-6,9-12,19-21H2,1-3H3,(H,33,39)(H,34,38)
InChIKeyVIBQHWPGJDXOME-UHFFFAOYSA-N
XLogP5.95
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927026
N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932139
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
N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931715
N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930506
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-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43931961
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-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38144186

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43932069) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide is CC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)C3)n2)cc1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is VIBQHWPGJDXOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3/c1-32(2,3)24-17-15-22(16-18-24)29-35-28(40-36-29)21-37-19-9-10-23(20-37)30(38)34-27-14-8-7-13-26(27)31(39)33-25-11-5-4-6-12-25/h7-8,13-18,23,25H,4-6,9-12,19-21H2,1-3H3,(H,33,39)(H,34,38).
What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 543.71 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43932069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).