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

C19H24N4O3S — CID 56724097

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)CCSc3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O3S/c1-14-21-17(26-22-14)13-20-19(25)15-7-10-23(11-8-15)18(24)9-12-27-16-5-3-2-4-6-16/h2-6,15H,7-13H2,1H3,(H,20,25)
InChIKeyGTMJRXYZYUCJNG-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.42
Rot. Bonds7

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide (PubChem CID 56724097) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
PubChem CID56724097
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)CCSc3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O3S/c1-14-21-17(26-22-14)13-20-19(25)15-7-10-23(11-8-15)18(24)9-12-27-16-5-3-2-4-6-16/h2-6,15H,7-13H2,1H3,(H,20,25)
InChIKeyGTMJRXYZYUCJNG-UHFFFAOYSA-N
XLogP2.42
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide (CID 56724097) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)CCSc3ccccc3)CC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The InChIKey is GTMJRXYZYUCJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-21-17(26-22-14)13-20-19(25)15-7-10-23(11-8-15)18(24)9-12-27-16-5-3-2-4-6-16/h2-6,15H,7-13H2,1H3,(H,20,25).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56724097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).