N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide

C24H35FN4O2 — CID 24595097

About N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide

N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 24595097) has the molecular formula C24H35FN4O2 and a molecular weight of 430.57 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide
• PubChem CID: 24595097
• Molecular Formula: C24H35FN4O2
• Molecular Weight: 430.57 g/mol
• Exact Mass: 430.27
• IUPAC Name: N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide
• SMILES: CC1CC(C)CN(C(=O)CN2CCN(C(C(=O)NC3CC3)c3ccc(F)cc3)CC2)C1
• InChI: InChI=1S/C24H35FN4O2/c1-17-13-18(2)15-29(14-17)22(30)16-27-9-11-28(12-10-27)23(24(31)26-21-7-8-21)19-3-5-20(25)6-4-19/h3-6,17-18,21,23H,7-16H2,1-2H3,(H,26,31)
• InChIKey: JJSASGFXTDGIRQ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.57
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide?

The IUPAC name of N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide (CID 24595097) is N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide.

What is the SMILES notation for N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide?

The canonical SMILES for N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide is CC1CC(C)CN(C(=O)CN2CCN(C(C(=O)NC3CC3)c3ccc(F)cc3)CC2)C1.

What is the InChIKey of N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide?

The InChIKey is JJSASGFXTDGIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O2/c1-17-13-18(2)15-29(14-17)22(30)16-27-9-11-28(12-10-27)23(24(31)26-21-7-8-21)19-3-5-20(25)6-4-19/h3-6,17-18,21,23H,7-16H2,1-2H3,(H,26,31).

What are the key properties of N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide?

N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 430.57 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 24595097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).