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

C25H28N4O5 — CID 92897619

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

N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 92897619) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
• PubChem CID: 92897619
• Molecular Formula: C25H28N4O5
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.21
• IUPAC Name: N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
• SMILES: CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)COc4ccc(OC)cc4)C3)n2)c1
• InChI: InChI=1S/C25H28N4O5/c1-3-22(30)26-19-8-4-6-17(14-19)24-27-25(34-28-24)18-7-5-13-29(15-18)23(31)16-33-21-11-9-20(32-2)10-12-21/h4,6,8-12,14,18H,3,5,7,13,15-16H2,1-2H3,(H,26,30)/t18-/m0/s1
• InChIKey: XXKUUPFOJJXZFW-SFHVURJKSA-N
• XLogP: 3.88
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 92897619) is N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

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

The canonical SMILES for N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)COc4ccc(OC)cc4)C3)n2)c1.

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

The InChIKey is XXKUUPFOJJXZFW-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-3-22(30)26-19-8-4-6-17(14-19)24-27-25(34-28-24)18-7-5-13-29(15-18)23(31)16-33-21-11-9-20(32-2)10-12-21/h4,6,8-12,14,18H,3,5,7,13,15-16H2,1-2H3,(H,26,30)/t18-/m0/s1.

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

N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 464.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 92897619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).