3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C19H29Cl2N5O2 — CID 120982695

About 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982695) has the molecular formula C19H29Cl2N5O2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
• PubChem CID: 120982695
• Molecular Formula: C19H29Cl2N5O2
• Molecular Weight: 430.38 g/mol
• Exact Mass: 429.17
• IUPAC Name: 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
• SMILES: Cc1ccc2oc(N3CCN(CCC(=O)N4CCNCC4)CC3)nc2c1.Cl.Cl
• InChI: InChI=1S/C19H27N5O2.2ClH/c1-15-2-3-17-16(14-15)21-19(26-17)24-12-10-22(11-13-24)7-4-18(25)23-8-5-20-6-9-23;;/h2-3,14,20H,4-13H2,1H3;2*1H
• InChIKey: QISZZFVSIVUTAV-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 64.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.38
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?

The IUPAC name of 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982695) is 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

What is the SMILES notation for 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?

The canonical SMILES for 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is Cc1ccc2oc(N3CCN(CCC(=O)N4CCNCC4)CC3)nc2c1.Cl.Cl.

What is the InChIKey of 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?

The InChIKey is QISZZFVSIVUTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.2ClH/c1-15-2-3-17-16(14-15)21-19(26-17)24-12-10-22(11-13-24)7-4-18(25)23-8-5-20-6-9-23;;/h2-3,14,20H,4-13H2,1H3;2*1H.

What are the key properties of 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?

3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).