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

C23H29ClN4O3 — CID 42767306

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

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-N-prop-2-enylpropanamide (PubChem CID 42767306) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-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]-2,2-dimethyl-N-prop-2-enylpropanamide
• PubChem CID: 42767306
• Molecular Formula: C23H29ClN4O3
• Molecular Weight: 444.96 g/mol
• Exact Mass: 444.19
• IUPAC Name: N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-N-prop-2-enylpropanamide
• SMILES: C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(C)(C)C
• InChI: InChI=1S/C23H29ClN4O3/c1-5-12-27(22(30)23(2,3)4)15-19(29)28-13-7-6-11-18(28)21-25-20(26-31-21)16-9-8-10-17(24)14-16/h5,8-10,14,18H,1,6-7,11-13,15H2,2-4H3
• InChIKey: URIJQPOSTOSEFP-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.96
LogP ≤ 5	4.50
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]-2,2-dimethyl-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]-2,2-dimethyl-N-prop-2-enylpropanamide (CID 42767306) is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-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]-2,2-dimethyl-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]-2,2-dimethyl-N-prop-2-enylpropanamide is C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(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]-2,2-dimethyl-N-prop-2-enylpropanamide?

The InChIKey is URIJQPOSTOSEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-5-12-27(22(30)23(2,3)4)15-19(29)28-13-7-6-11-18(28)21-25-20(26-31-21)16-9-8-10-17(24)14-16/h5,8-10,14,18H,1,6-7,11-13,15H2,2-4H3.

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

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-N-prop-2-enylpropanamide has a molecular weight of 444.96 g/mol, XLogP of 4.50, 6 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]-2,2-dimethyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 42767306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).