(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one

C25H28N4O2 — CID 96582094

IUPAC(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1nccn1C
InChIInChI=1S/C25H28N4O2/c1-3-4-12-22-17-28(21-13-8-11-20(16-21)19-9-6-5-7-10-19)23(30)18-29(22)25(31)24-26-14-15-27(24)2/h5-11,13-16,22H,3-4,12,17-18H2,1-2H3/t22-/m1/s1
InChIKeyWPIWWJFMFVOPOM-JOCHJYFZSA-N
MW416.53 g/mol
LogP4.13
Rot. Bonds6

About (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one

(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one (PubChem CID 96582094) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
PubChem CID96582094
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1nccn1C
InChIInChI=1S/C25H28N4O2/c1-3-4-12-22-17-28(21-13-8-11-20(16-21)19-9-6-5-7-10-19)23(30)18-29(22)25(31)24-26-14-15-27(24)2/h5-11,13-16,22H,3-4,12,17-18H2,1-2H3/t22-/m1/s1
InChIKeyWPIWWJFMFVOPOM-JOCHJYFZSA-N
XLogP4.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70786611
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
1-[2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 70730178
1-[(2S)-2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 96574461
5-butyl-4-(3-hydroxypropanoyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70785641
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one
CID 70782872
(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one
CID 96575129
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 96571045
(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582352
1-(1-methylimidazole-2-carbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 110229858

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
The IUPAC name of (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one (CID 96582094) is (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
The canonical SMILES for (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one is CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1nccn1C.
What is the InChIKey of (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
The InChIKey is WPIWWJFMFVOPOM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-4-12-22-17-28(21-13-8-11-20(16-21)19-9-6-5-7-10-19)23(30)18-29(22)25(31)24-26-14-15-27(24)2/h5-11,13-16,22H,3-4,12,17-18H2,1-2H3/t22-/m1/s1.
What are the key properties of (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one has a molecular weight of 416.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 96582094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).