N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

C24H27ClN4O3S — CID 43930782

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NCCSc4ccc(Cl)cc4)C3)n2)cc1
InChIInChI=1S/C24H27ClN4O3S/c1-31-20-8-4-17(5-9-20)23-27-22(32-28-23)16-29-13-2-3-18(15-29)24(30)26-12-14-33-21-10-6-19(25)7-11-21/h4-11,18H,2-3,12-16H2,1H3,(H,26,30)
InChIKeyQTMCXAJVCKMFOI-UHFFFAOYSA-N
MW487.03 g/mol
LogP4.52
Rot. Bonds9

About N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43930782) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43930782
Molecular FormulaC24H27ClN4O3S
Molecular Weight487.03 g/mol
Exact Mass486.15
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NCCSc4ccc(Cl)cc4)C3)n2)cc1
InChIInChI=1S/C24H27ClN4O3S/c1-31-20-8-4-17(5-9-20)23-27-22(32-28-23)16-29-13-2-3-18(15-29)24(30)26-12-14-33-21-10-6-19(25)7-11-21/h4-11,18H,2-3,12-16H2,1H3,(H,26,30)
InChIKeyQTMCXAJVCKMFOI-UHFFFAOYSA-N
XLogP4.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.03
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]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-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43930780
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930787
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-chlorophenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 43932268
N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929356
N-[2-(4-methylphenyl)sulfanylethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929086
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930977
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide
CID 38148507
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43932422
N-[3-(4-methoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930545
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930815
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 43930797
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43929509

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43930782) is N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCCC(C(=O)NCCSc4ccc(Cl)cc4)C3)n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is QTMCXAJVCKMFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c1-31-20-8-4-17(5-9-20)23-27-22(32-28-23)16-29-13-2-3-18(15-29)24(30)26-12-14-33-21-10-6-19(25)7-11-21/h4-11,18H,2-3,12-16H2,1H3,(H,26,30).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 487.03 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43930782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).