1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride

C18H25ClN4O — CID 45284165

IUPAC1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C18H24N4O.ClH/c1-20-11-10-19-18(20)22-14-12-21(13-15-22)17(23)9-5-8-16-6-3-2-4-7-16;/h2-4,6-7,10-11H,5,8-9,12-15H2,1H3;1H
InChIKeyAJGZGBAXXHRWOM-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.51
Rot. Bonds5

About 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride

1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride (PubChem CID 45284165) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
PubChem CID45284165
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C18H24N4O.ClH/c1-20-11-10-19-18(20)22-14-12-21(13-15-22)17(23)9-5-8-16-6-3-2-4-7-16;/h2-4,6-7,10-11H,5,8-9,12-15H2,1H3;1H
InChIKeyAJGZGBAXXHRWOM-UHFFFAOYSA-N
XLogP2.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride 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

1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71779949
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133316261
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
4-phenyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]butan-1-one
CID 133371959
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
CID 71779972
tert-butyl 4-(5-phenylpentanoyl)piperazine-1-carboxylate
CID 110312066
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 60539533

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride (CID 45284165) is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride is Cl.Cn1ccnc1N1CCN(C(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride?
The InChIKey is AJGZGBAXXHRWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-20-11-10-19-18(20)22-14-12-21(13-15-22)17(23)9-5-8-16-6-3-2-4-7-16;/h2-4,6-7,10-11H,5,8-9,12-15H2,1H3;1H.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride?
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride is sourced from PubChem (CID 45284165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).