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

C24H27ClN4O2S — CID 43929356

IUPACN-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCCSc1ccc(Cl)cc1)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C24H27ClN4O2S/c25-20-9-11-21(12-10-20)32-15-5-13-26-24(30)19-8-4-14-29(16-19)17-22-27-23(28-31-22)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-17H2,(H,26,30)
InChIKeyPMOBEUWNEBKIBI-UHFFFAOYSA-N
MW471.03 g/mol
LogP4.90
Rot. Bonds9

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

N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43929356) has the molecular formula C24H27ClN4O2S and a molecular weight of 471.03 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43929356
Molecular FormulaC24H27ClN4O2S
Molecular Weight471.03 g/mol
Exact Mass470.15
IUPAC NameN-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCCSc1ccc(Cl)cc1)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C24H27ClN4O2S/c25-20-9-11-21(12-10-20)32-15-5-13-26-24(30)19-8-4-14-29(16-19)17-22-27-23(28-31-22)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-17H2,(H,26,30)
InChIKeyPMOBEUWNEBKIBI-UHFFFAOYSA-N
XLogP4.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-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-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-chlorophenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 43932268
N-[2-(4-methylphenyl)sulfanylethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929086
N-[2-(4-chlorophenyl)sulfanylethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930782
N-(3-phenylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935231
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43930780
N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140998
N-butyl-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934210
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933973
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
(3R)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028332
(3S)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028331
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43932422

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43929356) is N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCCCSc1ccc(Cl)cc1)C1CCCN(Cc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PMOBEUWNEBKIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S/c25-20-9-11-21(12-10-20)32-15-5-13-26-24(30)19-8-4-14-29(16-19)17-22-27-23(28-31-22)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-17H2,(H,26,30).
What are the key properties of N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 471.03 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).