N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H22N4O2S — CID 39995844

IUPACN-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22N4O2S/c25-18(10-11-19-22-20(23-26-19)17-5-4-14-27-17)21-15-6-8-16(9-7-15)24-12-2-1-3-13-24/h4-9,14H,1-3,10-13H2,(H,21,25)
InChIKeyTYFXNQVPQDHRJP-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.36
Rot. Bonds6

About N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 39995844) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID39995844
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22N4O2S/c25-18(10-11-19-22-20(23-26-19)17-5-4-14-27-17)21-15-6-8-16(9-7-15)24-12-2-1-3-13-24/h4-9,14H,1-3,10-13H2,(H,21,25)
InChIKeyTYFXNQVPQDHRJP-UHFFFAOYSA-N
XLogP4.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049827
N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24652788
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
N-(4-pyrrolidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17485381
N-(4-pyrrolidin-1-ylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335310
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
N-(4-methylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089801
N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 52713219
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 39995844) is N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is TYFXNQVPQDHRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-18(10-11-19-22-20(23-26-19)17-5-4-14-27-17)21-15-6-8-16(9-7-15)24-12-2-1-3-13-24/h4-9,14H,1-3,10-13H2,(H,21,25).
What are the key properties of N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 39995844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).