1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione

C19H24N4O3 — CID 120877364

IUPAC1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C19H24N4O3/c1-22-11-10-21-19(22)16-13-20-9-12-23(16)18(25)8-7-17(24)14-3-5-15(26-2)6-4-14/h3-6,10-11,16,20H,7-9,12-13H2,1-2H3
InChIKeyCMWMSUXIMDGPOB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.56
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione

1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione (PubChem CID 120877364) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
PubChem CID120877364
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C19H24N4O3/c1-22-11-10-21-19(22)16-13-20-9-12-23(16)18(25)8-7-17(24)14-3-5-15(26-2)6-4-14/h3-6,10-11,16,20H,7-9,12-13H2,1-2H3
InChIKeyCMWMSUXIMDGPOB-UHFFFAOYSA-N
XLogP1.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione;hydrochloride
CID 120880653
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 120877558
2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879016
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 120877375
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120878290
2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120880664
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione (CID 120877364) is 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione is COc1ccc(C(=O)CCC(=O)N2CCNCC2c2nccn2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione?
The InChIKey is CMWMSUXIMDGPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-11-10-21-19(22)16-13-20-9-12-23(16)18(25)8-7-17(24)14-3-5-15(26-2)6-4-14/h3-6,10-11,16,20H,7-9,12-13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione?
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 120877364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).