5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one

C17H22N4O2 — CID 138036096

IUPAC5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one
SMILESCC1CN(C(=O)c2cn(C)c(=O)[nH]2)CCN1Cc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-13-10-21(16(22)15-12-19(2)17(23)18-15)9-8-20(13)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,23)
InChIKeyYZNSNAFNBWXUQM-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.06
Rot. Bonds3

About 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one

5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one (PubChem CID 138036096) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one
PubChem CID138036096
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one
SMILESCC1CN(C(=O)c2cn(C)c(=O)[nH]2)CCN1Cc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-13-10-21(16(22)15-12-19(2)17(23)18-15)9-8-20(13)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,23)
InChIKeyYZNSNAFNBWXUQM-UHFFFAOYSA-N
XLogP1.06
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110657793
1-adamantyl-(4-benzyl-3-methylpiperazin-1-yl)methanone
CID 110657845
1-(4-benzyl-3-methylpiperazin-1-yl)octadecan-1-one
CID 68996989
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
1-(4-benzyl-3-methylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110657807
(3,4-dichlorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658142
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one (CID 138036096) is 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one is CC1CN(C(=O)c2cn(C)c(=O)[nH]2)CCN1Cc1ccccc1.
What is the InChIKey of 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one?
The InChIKey is YZNSNAFNBWXUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-10-21(16(22)15-12-19(2)17(23)18-15)9-8-20(13)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,23).
What are the key properties of 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one?
5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 138036096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).