1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one

C24H26N4O3 — CID 146069975

IUPAC1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one
SMILESCc1ccc(CC(=O)N2CCN(Cc3ccccc3)C(=O)C2Cc2nc(C)no2)cc1
InChIInChI=1S/C24H26N4O3/c1-17-8-10-19(11-9-17)14-23(29)28-13-12-27(16-20-6-4-3-5-7-20)24(30)21(28)15-22-25-18(2)26-31-22/h3-11,21H,12-16H2,1-2H3
InChIKeySBQQFHRUBOEWNV-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.71
Rot. Bonds6

About 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one

1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one (PubChem CID 146069975) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one
PubChem CID146069975
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one
SMILESCc1ccc(CC(=O)N2CCN(Cc3ccccc3)C(=O)C2Cc2nc(C)no2)cc1
InChIInChI=1S/C24H26N4O3/c1-17-8-10-19(11-9-17)14-23(29)28-13-12-27(16-20-6-4-3-5-7-20)24(30)21(28)15-22-25-18(2)26-31-22/h3-11,21H,12-16H2,1-2H3
InChIKeySBQQFHRUBOEWNV-UHFFFAOYSA-N
XLogP2.71
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one with MolForge

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Related Compounds

4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide
CID 146070879
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 146070019
1-benzyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146070910
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one
CID 146070891
benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate
CID 101170964
1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 813005
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
CID 142864915
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207331
1-[(4aS,8R,8aR)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-pyrrolidin-1-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 167567604
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110714939

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one?
The IUPAC name of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one (CID 146069975) is 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one?
The canonical SMILES for 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one is Cc1ccc(CC(=O)N2CCN(Cc3ccccc3)C(=O)C2Cc2nc(C)no2)cc1.
What is the InChIKey of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one?
The InChIKey is SBQQFHRUBOEWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-8-10-19(11-9-17)14-23(29)28-13-12-27(16-20-6-4-3-5-7-20)24(30)21(28)15-22-25-18(2)26-31-22/h3-11,21H,12-16H2,1-2H3.
What are the key properties of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one?
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one has a molecular weight of 418.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one is sourced from PubChem (CID 146069975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).