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

C25H32N4O3S — CID 43935248

IUPACN-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C25H32N4O3S/c1-2-15-31-21-11-4-3-8-19(21)9-5-13-26-25(30)20-10-6-14-29(17-20)18-23-27-24(28-32-23)22-12-7-16-33-22/h3-4,7-8,11-12,16,20H,2,5-6,9-10,13-15,17-18H2,1H3,(H,26,30)
InChIKeyQVFJHBGPWJBBOR-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.55
Rot. Bonds11

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

N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935248) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43935248
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C25H32N4O3S/c1-2-15-31-21-11-4-3-8-19(21)9-5-13-26-25(30)20-10-6-14-29(17-20)18-23-27-24(28-32-23)22-12-7-16-33-22/h3-4,7-8,11-12,16,20H,2,5-6,9-10,13-15,17-18H2,1H3,(H,26,30)
InChIKeyQVFJHBGPWJBBOR-UHFFFAOYSA-N
XLogP4.55
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935316
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide
CID 43932708
N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935177
N-[3-(4-methylphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935160
N-(3-phenylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935231
N-[3-(4-methylpiperidin-1-yl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935179
N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930981
N-(2-phenylsulfanylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934961
N-[(2-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934971
N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935234
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935240
N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935188

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935248) is N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CCCOc1ccccc1CCCNC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1.
What is the InChIKey of N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is QVFJHBGPWJBBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-2-15-31-21-11-4-3-8-19(21)9-5-13-26-25(30)20-10-6-14-29(17-20)18-23-27-24(28-32-23)22-12-7-16-33-22/h3-4,7-8,11-12,16,20H,2,5-6,9-10,13-15,17-18H2,1H3,(H,26,30).
What are the key properties of N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).