4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one

C20H28N4O2 — CID 56896768

IUPAC4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCCCCc1ncc(CN2CCN(Cc3cccc(OC)c3)C(=O)C2)[nH]1
InChIInChI=1S/C20H28N4O2/c1-3-4-8-19-21-12-17(22-19)14-23-9-10-24(20(25)15-23)13-16-6-5-7-18(11-16)26-2/h5-7,11-12H,3-4,8-10,13-15H2,1-2H3,(H,21,22)
InChIKeyZJESPOONLLQRDG-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.61
Rot. Bonds8

About 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one

4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 56896768) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
PubChem CID56896768
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCCCCc1ncc(CN2CCN(Cc3cccc(OC)c3)C(=O)C2)[nH]1
InChIInChI=1S/C20H28N4O2/c1-3-4-8-19-21-12-17(22-19)14-23-9-10-24(20(25)15-23)13-16-6-5-7-18(11-16)26-2/h5-7,11-12H,3-4,8-10,13-15H2,1-2H3,(H,21,22)
InChIKeyZJESPOONLLQRDG-UHFFFAOYSA-N
XLogP2.61
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
CID 124755697
1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 118784345
5-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine
CID 45202028
(3R)-4-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-ethyl-1,4-diazepan-5-one
CID 95402715
1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
CID 56906121
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319
4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56916300
(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 97191045

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one (CID 56896768) is 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one is CCCCc1ncc(CN2CCN(Cc3cccc(OC)c3)C(=O)C2)[nH]1.
What is the InChIKey of 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is ZJESPOONLLQRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-4-8-19-21-12-17(22-19)14-23-9-10-24(20(25)15-23)13-16-6-5-7-18(11-16)26-2/h5-7,11-12H,3-4,8-10,13-15H2,1-2H3,(H,21,22).
What are the key properties of 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 56896768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).