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

C29H38N4O4S — CID 43932314

IUPAC1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C29H38N4O4S/c1-6-25(20-11-15-24(16-12-20)38(5,35)36)30-28(34)22-8-7-17-33(18-22)19-26-31-27(32-37-26)21-9-13-23(14-10-21)29(2,3)4/h9-16,22,25H,6-8,17-19H2,1-5H3,(H,30,34)
InChIKeySTWNWAGMIRBCBL-UHFFFAOYSA-N
MW538.71 g/mol
LogP4.92
Rot. Bonds8

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

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 43932314) has the molecular formula C29H38N4O4S and a molecular weight of 538.71 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
PubChem CID43932314
Molecular FormulaC29H38N4O4S
Molecular Weight538.71 g/mol
Exact Mass538.26
IUPAC Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C29H38N4O4S/c1-6-25(20-11-15-24(16-12-20)38(5,35)36)30-28(34)22-8-7-17-33(18-22)19-26-31-27(32-37-26)21-9-13-23(14-10-21)29(2,3)4/h9-16,22,25H,6-8,17-19H2,1-5H3,(H,30,34)
InChIKeySTWNWAGMIRBCBL-UHFFFAOYSA-N
XLogP4.92
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 43931891
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 43928184
N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930963
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 43933582
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2,4-dimethylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43932345
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43932348
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43931962
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-3-carboxamide
CID 43933201
N-[1-(2-methylphenyl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929436
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927036
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-(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-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide (CID 43932314) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide is CCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)C1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is STWNWAGMIRBCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4S/c1-6-25(20-11-15-24(16-12-20)38(5,35)36)30-28(34)22-8-7-17-33(18-22)19-26-31-27(32-37-26)21-9-13-23(14-10-21)29(2,3)4/h9-16,22,25H,6-8,17-19H2,1-5H3,(H,30,34).
What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 538.71 g/mol, XLogP of 4.92, 8 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-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 43932314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).