1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride

C17H27Cl4N5O — CID 119918659

About 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride

1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119918659) has the molecular formula C17H27Cl4N5O and a molecular weight of 459.25 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
• PubChem CID: 119918659
• Molecular Formula: C17H27Cl4N5O
• Molecular Weight: 459.25 g/mol
• Exact Mass: 457.10
• IUPAC Name: 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
• SMILES: CNC1CCCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1.Cl.Cl
• InChI: InChI=1S/C17H25Cl2N5O.2ClH/c1-20-14-3-2-4-22(11-14)12-16(25)23-5-7-24(8-6-23)17-15(19)9-13(18)10-21-17;;/h9-10,14,20H,2-8,11-12H2,1H3;2*1H
• InChIKey: XARGWXCRUVISTB-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.25
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?

The IUPAC name of 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride (CID 119918659) is 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride.

What is the SMILES notation for 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?

The canonical SMILES for 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride is CNC1CCCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1.Cl.Cl.

What is the InChIKey of 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?

The InChIKey is XARGWXCRUVISTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N5O.2ClH/c1-20-14-3-2-4-22(11-14)12-16(25)23-5-7-24(8-6-23)17-15(19)9-13(18)10-21-17;;/h9-10,14,20H,2-8,11-12H2,1H3;2*1H.

What are the key properties of 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride?

1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 459.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119918659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).