5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one

C22H26N2O2 — CID 70749410

IUPAC5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CC(Cc3ccccc3)N(C(=O)C(C)C)CC2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)22(26)24-15-21(25)23(19-11-9-17(3)10-12-19)14-20(24)13-18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3
InChIKeyDDMRLNMUKFCLNS-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.44
Rot. Bonds4

About 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one

5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one (PubChem CID 70749410) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
PubChem CID70749410
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CC(Cc3ccccc3)N(C(=O)C(C)C)CC2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)22(26)24-15-21(25)23(19-11-9-17(3)10-12-19)14-20(24)13-18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3
InChIKeyDDMRLNMUKFCLNS-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70728334
5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one
CID 70729103
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
4-[(5S)-5-benzyl-4-(cyclopropanecarbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 96576886
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
CID 96578517
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide
CID 96572799
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
The IUPAC name of 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one (CID 70749410) is 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one.
What is the SMILES notation for 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
The canonical SMILES for 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one is Cc1ccc(N2CC(Cc3ccccc3)N(C(=O)C(C)C)CC2=O)cc1.
What is the InChIKey of 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
The InChIKey is DDMRLNMUKFCLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)22(26)24-15-21(25)23(19-11-9-17(3)10-12-19)14-20(24)13-18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3.
What are the key properties of 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one is sourced from PubChem (CID 70749410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).