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

C19H25ClN4O2 — CID 72856039

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

N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 72856039) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 72856039
• Molecular Formula: C19H25ClN4O2
• Molecular Weight: 376.89 g/mol
• Exact Mass: 376.17
• IUPAC Name: N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
• SMILES: Cc1noc(CN2CCCC(CCC(=O)NCc3ccccc3Cl)C2)n1
• InChI: InChI=1S/C19H25ClN4O2/c1-14-22-19(26-23-14)13-24-10-4-5-15(12-24)8-9-18(25)21-11-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,21,25)
• InChIKey: MMFIRWFVNRZXDY-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.89
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide (CID 72856039) is N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide is Cc1noc(CN2CCCC(CCC(=O)NCc3ccccc3Cl)C2)n1.

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

The InChIKey is MMFIRWFVNRZXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-14-22-19(26-23-14)13-24-10-4-5-15(12-24)8-9-18(25)21-11-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,21,25).

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

N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 376.89 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 72856039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).