N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

C21H22N4O3S — CID 50835601

IUPACN-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCCN(C(=O)c4ccsc4)C3)n2)c1
InChIInChI=1S/C21H22N4O3S/c1-2-18(26)22-17-7-3-5-14(11-17)19-23-20(28-24-19)15-6-4-9-25(12-15)21(27)16-8-10-29-13-16/h3,5,7-8,10-11,13,15H,2,4,6,9,12H2,1H3,(H,22,26)
InChIKeyWTFOPLIXWLTUJU-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.17
Rot. Bonds5

About N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 50835601) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID50835601
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCCN(C(=O)c4ccsc4)C3)n2)c1
InChIInChI=1S/C21H22N4O3S/c1-2-18(26)22-17-7-3-5-14(11-17)19-23-20(28-24-19)15-6-4-9-25(12-15)21(27)16-8-10-29-13-16/h3,5,7-8,10-11,13,15H,2,4,6,9,12H2,1H3,(H,22,26)
InChIKeyWTFOPLIXWLTUJU-UHFFFAOYSA-N
XLogP4.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 50835601) is N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc(C3CCCN(C(=O)c4ccsc4)C3)n2)c1.
What is the InChIKey of N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is WTFOPLIXWLTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-2-18(26)22-17-7-3-5-14(11-17)19-23-20(28-24-19)15-6-4-9-25(12-15)21(27)16-8-10-29-13-16/h3,5,7-8,10-11,13,15H,2,4,6,9,12H2,1H3,(H,22,26).
What are the key properties of N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 410.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 50835601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).