N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide

C19H25ClN4O3 — CID 72905186

About N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 72905186) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 72905186
• Molecular Formula: C19H25ClN4O3
• Molecular Weight: 392.89 g/mol
• Exact Mass: 392.16
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CCC1CCCN(Cc2nc(C)no2)C1
• InChI: InChI=1S/C19H25ClN4O3/c1-13-21-19(27-23-13)12-24-9-3-4-14(11-24)5-8-18(25)22-16-10-15(20)6-7-17(16)26-2/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,22,25)
• InChIKey: CPOFFHCECBPJBU-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.89
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide (CID 72905186) is N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCC1CCCN(Cc2nc(C)no2)C1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide?

The InChIKey is CPOFFHCECBPJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-13-21-19(27-23-13)12-24-9-3-4-14(11-24)5-8-18(25)22-16-10-15(20)6-7-17(16)26-2/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,22,25).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide?

N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 392.89 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 72905186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).