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

C23H36N4O2 — CID 30736284

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

N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30736284) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
• PubChem CID: 30736284
• Molecular Formula: C23H36N4O2
• Molecular Weight: 400.57 g/mol
• Exact Mass: 400.28
• IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
• SMILES: Cc1cc(C)cc(NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1
• InChI: InChI=1S/C23H36N4O2/c1-17-9-18(2)12-21(11-17)24-22(28)15-25-5-7-26(8-6-25)16-23(29)27-13-19(3)10-20(4)14-27/h9,11-12,19-20H,5-8,10,13-16H2,1-4H3,(H,24,28)/t19-,20-/m0/s1
• InChIKey: BDJBUGVYDYXJNG-PMACEKPBSA-N
• XLogP: 2.36
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.57
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30736284) is N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1.

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

The InChIKey is BDJBUGVYDYXJNG-PMACEKPBSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17-9-18(2)12-21(11-17)24-22(28)15-25-5-7-26(8-6-25)16-23(29)27-13-19(3)10-20(4)14-27/h9,11-12,19-20H,5-8,10,13-16H2,1-4H3,(H,24,28)/t19-,20-/m0/s1.

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

N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30736284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).