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

C28H42N4O3 — CID 43932281

IUPAC1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)NCCCOC4CCCCC4)C3)n2)cc1
InChIInChI=1S/C28H42N4O3/c1-28(2,3)23-14-12-21(13-15-23)26-30-25(35-31-26)20-32-17-7-9-22(19-32)27(33)29-16-8-18-34-24-10-5-4-6-11-24/h12-15,22,24H,4-11,16-20H2,1-3H3,(H,29,33)
InChIKeyWZWMKUNYHYRMPH-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.10
Rot. Bonds9

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

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide (PubChem CID 43932281) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
PubChem CID43932281
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)NCCCOC4CCCCC4)C3)n2)cc1
InChIInChI=1S/C28H42N4O3/c1-28(2,3)23-14-12-21(13-15-23)26-30-25(35-31-26)20-32-17-7-9-22(19-32)27(33)29-16-8-18-34-24-10-5-4-6-11-24/h12-15,22,24H,4-11,16-20H2,1-3H3,(H,29,33)
InChIKeyWZWMKUNYHYRMPH-UHFFFAOYSA-N
XLogP5.10
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930217
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 43932163
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-chlorophenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 43932268
N-(3-benzylsulfanylpropyl)-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932272
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43932235
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43931961
N-[2-(2-chlorophenoxy)ethyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930711
N-(2-tert-butylsulfanylethyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930412
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43931962
N-[3-(dimethylamino)propyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931739
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-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43931974

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide (CID 43932281) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide is CC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)NCCCOC4CCCCC4)C3)n2)cc1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The InChIKey is WZWMKUNYHYRMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-28(2,3)23-14-12-21(13-15-23)26-30-25(35-31-26)20-32-17-7-9-22(19-32)27(33)29-16-8-18-34-24-10-5-4-6-11-24/h12-15,22,24H,4-11,16-20H2,1-3H3,(H,29,33).
What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 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-(3-cyclohexyloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43932281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).