N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

C22H35N3O3 — CID 119569045

About N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 119569045) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
• PubChem CID: 119569045
• Molecular Formula: C22H35N3O3
• Molecular Weight: 389.54 g/mol
• Exact Mass: 389.27
• IUPAC Name: N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
• SMILES: CCC(CC)(CN)NC(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1
• InChI: InChI=1S/C22H35N3O3/c1-5-22(6-2,15-23)24-21(27)18-10-12-19(13-11-18)28-14-20(26)25-16(3)8-7-9-17(25)4/h10-13,16-17H,5-9,14-15,23H2,1-4H3,(H,24,27)
• InChIKey: YFJWZTKZPCWPBW-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 84.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.54
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?

The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (CID 119569045) is N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.

What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?

The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is CCC(CC)(CN)NC(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1.

What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?

The InChIKey is YFJWZTKZPCWPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-5-22(6-2,15-23)24-21(27)18-10-12-19(13-11-18)28-14-20(26)25-16(3)8-7-9-17(25)4/h10-13,16-17H,5-9,14-15,23H2,1-4H3,(H,24,27).

What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?

N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 389.54 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 119569045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).