N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

C21H30Cl2N4O2 — CID 30738788

About N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30738788) has the molecular formula C21H30Cl2N4O2 and a molecular weight of 441.40 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
• PubChem CID: 30738788
• Molecular Formula: C21H30Cl2N4O2
• Molecular Weight: 441.40 g/mol
• Exact Mass: 440.17
• IUPAC Name: N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
• SMILES: C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1
• InChI: InChI=1S/C21H30Cl2N4O2/c1-15-10-16(2)12-27(11-15)20(29)14-26-8-6-25(7-9-26)13-19(28)24-21-17(22)4-3-5-18(21)23/h3-5,15-16H,6-14H2,1-2H3,(H,24,28)/t15-,16+
• InChIKey: RZIDRTHSFDYYSJ-IYBDPMFKSA-N
• XLogP: 3.05
• 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	441.40
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30738788) is N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1.

What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?

The InChIKey is RZIDRTHSFDYYSJ-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H30Cl2N4O2/c1-15-10-16(2)12-27(11-15)20(29)14-26-8-6-25(7-9-26)13-19(28)24-21-17(22)4-3-5-18(21)23/h3-5,15-16H,6-14H2,1-2H3,(H,24,28)/t15-,16+.

What are the key properties of N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?

N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 441.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30738788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).