4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one

C18H24N4O2 — CID 124953102

IUPAC4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)CCCn2ccnc2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-16-6-4-15(5-7-16)17-13-19-9-12-22(17)18(23)3-2-10-21-11-8-20-14-21/h4-8,11,14,17,19H,2-3,9-10,12-13H2,1H3/t17-/m0/s1
InChIKeyDTESNGIUSCMRAD-KRWDZBQOSA-N
MW328.42 g/mol
LogP1.85
Rot. Bonds6

About 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one

4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one (PubChem CID 124953102) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
PubChem CID124953102
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)CCCn2ccnc2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-16-6-4-15(5-7-16)17-13-19-9-12-22(17)18(23)3-2-10-21-11-8-20-14-21/h4-8,11,14,17,19H,2-3,9-10,12-13H2,1H3/t17-/m0/s1
InChIKeyDTESNGIUSCMRAD-KRWDZBQOSA-N
XLogP1.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110098335
3-(2-ethylimidazol-1-yl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109410
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 70721511
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
3-[2-[2-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110109396
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 110109389

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one (CID 124953102) is 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one is COc1ccc([C@@H]2CNCCN2C(=O)CCCn2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is DTESNGIUSCMRAD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-16-6-4-15(5-7-16)17-13-19-9-12-22(17)18(23)3-2-10-21-11-8-20-14-21/h4-8,11,14,17,19H,2-3,9-10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 124953102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).