3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride

C20H31Cl2N7O — CID 120871068

About 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride

3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 120871068) has the molecular formula C20H31Cl2N7O and a molecular weight of 456.42 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
• PubChem CID: 120871068
• Molecular Formula: C20H31Cl2N7O
• Molecular Weight: 456.42 g/mol
• Exact Mass: 455.20
• IUPAC Name: 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
• SMILES: Cl.Cl.Cn1ccnc1C1CNCCN1CCC(=O)N1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C20H29N7O.2ClH/c1-24-10-8-23-20(24)17-16-21-7-11-25(17)9-5-19(28)27-14-12-26(13-15-27)18-4-2-3-6-22-18;;/h2-4,6,8,10,17,21H,5,7,9,11-16H2,1H3;2*1H
• InChIKey: TXZFUVOVUTXHIX-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 69.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.42
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?

The IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 120871068) is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride.

What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?

The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride is Cl.Cl.Cn1ccnc1C1CNCCN1CCC(=O)N1CCN(c2ccccn2)CC1.

What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?

The InChIKey is TXZFUVOVUTXHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O.2ClH/c1-24-10-8-23-20(24)17-16-21-7-11-25(17)9-5-19(28)27-14-12-26(13-15-27)18-4-2-3-6-22-18;;/h2-4,6,8,10,17,21H,5,7,9,11-16H2,1H3;2*1H.

What are the key properties of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?

3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 456.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 120871068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).