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

C29H34N6O2 — CID 43932238

IUPAC1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)NCc4ccc(-n5ccnc5)cc4)C3)n2)cc1
InChIInChI=1S/C29H34N6O2/c1-29(2,3)24-10-8-22(9-11-24)27-32-26(37-33-27)19-34-15-4-5-23(18-34)28(36)31-17-21-6-12-25(13-7-21)35-16-14-30-20-35/h6-14,16,20,23H,4-5,15,17-19H2,1-3H3,(H,31,36)
InChIKeyMYSXHZYSCZZUBD-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.75
Rot. Bonds7

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

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43932238) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43932238
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)NCc4ccc(-n5ccnc5)cc4)C3)n2)cc1
InChIInChI=1S/C29H34N6O2/c1-29(2,3)24-10-8-22(9-11-24)27-32-26(37-33-27)19-34-15-4-5-23(18-34)28(36)31-17-21-6-12-25(13-7-21)35-16-14-30-20-35/h6-14,16,20,23H,4-5,15,17-19H2,1-3H3,(H,31,36)
InChIKeyMYSXHZYSCZZUBD-UHFFFAOYSA-N
XLogP4.75
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43932662
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-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930563
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine-3-carboxamide
CID 43932177
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43933510
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930987
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 38143900
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933169
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-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43932028
N-[(4-ethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930994
N-benzyl-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143586

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 43932238) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)(C)c1ccc(-c2noc(CN3CCCC(C(=O)NCc4ccc(-n5ccnc5)cc4)C3)n2)cc1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is MYSXHZYSCZZUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-29(2,3)24-10-8-22(9-11-24)27-32-26(37-33-27)19-34-15-4-5-23(18-34)28(36)31-17-21-6-12-25(13-7-21)35-16-14-30-20-35/h6-14,16,20,23H,4-5,15,17-19H2,1-3H3,(H,31,36).
What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43932238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).