1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one

C18H24N4O — CID 120880922

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1c1nccn1C)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-14(15-6-4-3-5-7-15)12-17(23)22-11-8-19-13-16(22)18-20-9-10-21(18)2/h3-7,9-10,14,16,19H,8,11-13H2,1-2H3
InChIKeyHZBQGOWBFBRNES-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.09
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one (PubChem CID 120880922) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
PubChem CID120880922
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1c1nccn1C)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-14(15-6-4-3-5-7-15)12-17(23)22-11-8-19-13-16(22)18-20-9-10-21(18)2/h3-7,9-10,14,16,19H,8,11-13H2,1-2H3
InChIKeyHZBQGOWBFBRNES-UHFFFAOYSA-N
XLogP2.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120911731
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 120879746
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807
3-(2-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878635
N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 120879262
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one;hydrochloride
CID 120877675
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 120878619
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 120880192

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one (CID 120880922) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCNCC1c1nccn1C)c1ccccc1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one?
The InChIKey is HZBQGOWBFBRNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(15-6-4-3-5-7-15)12-17(23)22-11-8-19-13-16(22)18-20-9-10-21(18)2/h3-7,9-10,14,16,19H,8,11-13H2,1-2H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 120880922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).