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

C16H18N4O3 — CID 45232095

IUPAC3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
SMILESCc1nonc1CC(=O)N1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C16H18N4O3/c1-11-13(19-23-18-11)10-15(21)20-8-7-17-16(22)14(20)9-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3,(H,17,22)
InChIKeyQVNJKXGMRBWUMG-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.49
Rot. Bonds4

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

3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one (PubChem CID 45232095) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
PubChem CID45232095
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
SMILESCc1nonc1CC(=O)N1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C16H18N4O3/c1-11-13(19-23-18-11)10-15(21)20-8-7-17-16(22)14(20)9-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3,(H,17,22)
InChIKeyQVNJKXGMRBWUMG-UHFFFAOYSA-N
XLogP0.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
(3R)-3-benzyl-4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97128140
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 45228911
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 74240827
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one?
The IUPAC name of 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one (CID 45232095) is 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one is Cc1nonc1CC(=O)N1CCNC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one?
The InChIKey is QVNJKXGMRBWUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-13(19-23-18-11)10-15(21)20-8-7-17-16(22)14(20)9-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3,(H,17,22).
What are the key properties of 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one?
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one has a molecular weight of 314.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 45232095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).