3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C17H22N4O2 — CID 110697885

IUPAC3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2cnc[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-23-16-5-3-2-4-15(16)20-8-10-21(11-9-20)17(22)7-6-14-12-18-13-19-14/h2-5,12-13H,6-11H2,1H3,(H,18,19)
InChIKeyWUMIBIHNHMUSDQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.70
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 110697885) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID110697885
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2cnc[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-23-16-5-3-2-4-15(16)20-8-10-21(11-9-20)17(22)7-6-14-12-18-13-19-14/h2-5,12-13H,6-11H2,1H3,(H,18,19)
InChIKeyWUMIBIHNHMUSDQ-UHFFFAOYSA-N
XLogP1.70
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 110697885) is 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)CCc2cnc[nH]2)CC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is WUMIBIHNHMUSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-16-5-3-2-4-15(16)20-8-10-21(11-9-20)17(22)7-6-14-12-18-13-19-14/h2-5,12-13H,6-11H2,1H3,(H,18,19).
What are the key properties of 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110697885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).