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

C22H24N4O3S — CID 50835602

IUPACN-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCCN(C(=O)c4sccc4C)C3)n2)c1
InChIInChI=1S/C22H24N4O3S/c1-3-18(27)23-17-8-4-6-15(12-17)20-24-21(29-25-20)16-7-5-10-26(13-16)22(28)19-14(2)9-11-30-19/h4,6,8-9,11-12,16H,3,5,7,10,13H2,1-2H3,(H,23,27)
InChIKeyGQIVBDNZZZAVSD-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.47
Rot. Bonds5

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

N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 50835602) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID50835602
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCCN(C(=O)c4sccc4C)C3)n2)c1
InChIInChI=1S/C22H24N4O3S/c1-3-18(27)23-17-8-4-6-15(12-17)20-24-21(29-25-20)16-7-5-10-26(13-16)22(28)19-14(2)9-11-30-19/h4,6,8-9,11-12,16H,3,5,7,10,13H2,1-2H3,(H,23,27)
InChIKeyGQIVBDNZZZAVSD-UHFFFAOYSA-N
XLogP4.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.47
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-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 50835602) is N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc(C3CCCN(C(=O)c4sccc4C)C3)n2)c1.
What is the InChIKey of N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is GQIVBDNZZZAVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-3-18(27)23-17-8-4-6-15(12-17)20-24-21(29-25-20)16-7-5-10-26(13-16)22(28)19-14(2)9-11-30-19/h4,6,8-9,11-12,16H,3,5,7,10,13H2,1-2H3,(H,23,27).
What are the key properties of N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 424.53 g/mol, XLogP of 4.47, 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-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 50835602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).