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

C25H28N4O3 — CID 92897581

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

N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 92897581) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
• PubChem CID: 92897581
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
• SMILES: CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C)cc4C)C3)n2)c1
• InChI: InChI=1S/C25H28N4O3/c1-4-22(30)26-20-9-5-7-18(14-20)23-27-24(32-28-23)19-8-6-12-29(15-19)25(31)21-11-10-16(2)13-17(21)3/h5,7,9-11,13-14,19H,4,6,8,12,15H2,1-3H3,(H,26,30)/t19-/m0/s1
• InChIKey: GPGZBSMTMJDVRN-IBGZPJMESA-N
• XLogP: 4.72
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?

The IUPAC name of N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 92897581) is N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

What is the SMILES notation for N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?

The canonical SMILES for N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C)cc4C)C3)n2)c1.

What is the InChIKey of N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?

The InChIKey is GPGZBSMTMJDVRN-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N4O3/c1-4-22(30)26-20-9-5-7-18(14-20)23-27-24(32-28-23)19-8-6-12-29(15-19)25(31)21-11-10-16(2)13-17(21)3/h5,7,9-11,13-14,19H,4,6,8,12,15H2,1-3H3,(H,26,30)/t19-/m0/s1.

What are the key properties of N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?

N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 92897581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).