1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone

C18H24N4O2 — CID 124966168

IUPAC1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CN(Cc3nc[nH]c3C)CCN2C(C)=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13-17(20-12-19-13)10-21-8-9-22(14(2)23)18(11-21)15-4-6-16(24-3)7-5-15/h4-7,12,18H,8-11H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyIJXYZTFZYBKUQS-SFHVURJKSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds4

About 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone

1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 124966168) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID124966168
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CN(Cc3nc[nH]c3C)CCN2C(C)=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13-17(20-12-19-13)10-21-8-9-22(14(2)23)18(11-21)15-4-6-16(24-3)7-5-15/h4-7,12,18H,8-11H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyIJXYZTFZYBKUQS-SFHVURJKSA-N
XLogP2.13
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 124966168) is 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone is COc1ccc([C@@H]2CN(Cc3nc[nH]c3C)CCN2C(C)=O)cc1.
What is the InChIKey of 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is IJXYZTFZYBKUQS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-17(20-12-19-13)10-21-8-9-22(14(2)23)18(11-21)15-4-6-16(24-3)7-5-15/h4-7,12,18H,8-11H2,1-3H3,(H,19,20)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone?
1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124966168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).