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

C32H41N5O3 — CID 43927026

IUPAC1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C32H41N5O3/c1-32(2,3)24-15-13-22(14-16-24)29-35-28(40-36-29)21-37-19-17-23(18-20-37)30(38)34-27-12-8-7-11-26(27)31(39)33-25-9-5-4-6-10-25/h7-8,11-16,23,25H,4-6,9-10,17-21H2,1-3H3,(H,33,39)(H,34,38)
InChIKeyRFQYURPZXODFAN-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-4-carboxamide

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43927026) 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-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43927026
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-4-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C32H41N5O3/c1-32(2,3)24-15-13-22(14-16-24)29-35-28(40-36-29)21-37-19-17-23(18-20-37)30(38)34-27-12-8-7-11-26(27)31(39)33-25-9-5-4-6-10-25/h7-8,11-16,23,25H,4-6,9-10,17-21H2,1-3H3,(H,33,39)(H,34,38)
InChIKeyRFQYURPZXODFAN-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-3-carboxamide
CID 43932069
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-ethylphenyl)piperidine-4-carboxamide
CID 38143669
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-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38142223
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926695
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115317
methyl 2-[[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38147291
N-benzyl-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143586
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38148796
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

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-4-carboxamide?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 43927026) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)CC3)n2)cc1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is RFQYURPZXODFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3/c1-32(2,3)24-15-13-22(14-16-24)29-35-28(40-36-29)21-37-19-17-23(18-20-37)30(38)34-27-12-8-7-11-26(27)31(39)33-25-9-5-4-6-10-25/h7-8,11-16,23,25H,4-6,9-10,17-21H2,1-3H3,(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-4-carboxamide?
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 43927026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).