2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride

C15H27Cl2N5O2 — CID 71780031

IUPAC2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1N1CCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C15H25N5O2.2ClH/c1-18-5-4-16-15(18)20-8-6-19(7-9-20)12-14(21)17-11-13-3-2-10-22-13;;/h4-5,13H,2-3,6-12H2,1H3,(H,17,21);2*1H
InChIKeyQFVOZCSNUDZKSE-UHFFFAOYSA-N
MW380.32 g/mol
LogP0.68
Rot. Bonds5

About 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride

2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride (PubChem CID 71780031) has the molecular formula C15H27Cl2N5O2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride
PubChem CID71780031
Molecular FormulaC15H27Cl2N5O2
Molecular Weight380.32 g/mol
Exact Mass379.15
IUPAC Name2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1N1CCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C15H25N5O2.2ClH/c1-18-5-4-16-15(18)20-8-6-19(7-9-20)12-14(21)17-11-13-3-2-10-22-13;;/h4-5,13H,2-3,6-12H2,1H3,(H,17,21);2*1H
InChIKeyQFVOZCSNUDZKSE-UHFFFAOYSA-N
XLogP0.68
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride (CID 71780031) is 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride is Cl.Cl.Cn1ccnc1N1CCN(CC(=O)NCC2CCCO2)CC1.
What is the InChIKey of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride?
The InChIKey is QFVOZCSNUDZKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.2ClH/c1-18-5-4-16-15(18)20-8-6-19(7-9-20)12-14(21)17-11-13-3-2-10-22-13;;/h4-5,13H,2-3,6-12H2,1H3,(H,17,21);2*1H.
What are the key properties of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride?
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 71780031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).