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

C22H27ClN4O3 — CID 3582947

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

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide (PubChem CID 3582947) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

• Compound Name: N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide
• PubChem CID: 3582947
• Molecular Formula: C22H27ClN4O3
• Molecular Weight: 430.94 g/mol
• Exact Mass: 430.18
• IUPAC Name: N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide
• SMILES: C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(C)C
• InChI: InChI=1S/C22H27ClN4O3/c1-4-11-26(22(29)15(2)3)14-19(28)27-12-6-5-10-18(27)21-24-20(25-30-21)16-8-7-9-17(23)13-16/h4,7-9,13,15,18H,1,5-6,10-12,14H2,2-3H3
• InChIKey: QLRAFFVIVRXQHY-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.94
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide (CID 3582947) is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide.

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

The canonical SMILES for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide is C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(C)C.

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

The InChIKey is QLRAFFVIVRXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-4-11-26(22(29)15(2)3)14-19(28)27-12-6-5-10-18(27)21-24-20(25-30-21)16-8-7-9-17(23)13-16/h4,7-9,13,15,18H,1,5-6,10-12,14H2,2-3H3.

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

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 430.94 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 3582947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).