2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide

C15H19N3O3 — CID 169115456

IUPAC2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)N1C[C@H](c2ccccc2)N(C(=O)C(N)=O)C[C@H]1C
InChIInChI=1S/C15H19N3O3/c1-10-8-18(15(21)14(16)20)13(9-17(10)11(2)19)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H2,16,20)/t10-,13-/m1/s1
InChIKeyKJYQUGNJTCSOGA-ZWNOBZJWSA-N
MW289.33 g/mol
LogP0.29
Rot. Bonds1

About 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide

2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115456) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
PubChem CID169115456
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)N1C[C@H](c2ccccc2)N(C(=O)C(N)=O)C[C@H]1C
InChIInChI=1S/C15H19N3O3/c1-10-8-18(15(21)14(16)20)13(9-17(10)11(2)19)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H2,16,20)/t10-,13-/m1/s1
InChIKeyKJYQUGNJTCSOGA-ZWNOBZJWSA-N
XLogP0.29
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115432
2-[(2S,5R)-4-ethyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[(2S,5R)-4-ethyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetate
CID 175924721
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
CID 169115611
2-phenylaziridine-1-carboxylic acid
CID 87708946
2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115911
tert-butyl 4-oxamoyl-3-phenylpiperazine-1-carboxylate
CID 169115760
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769
1-(3,5-diphenylpyrazolidin-1-yl)ethanone
CID 3126002
1-[(2R)-2-phenylaziridin-1-yl]but-2-en-1-one
CID 123139269
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
2,5-dimethyl-1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide
CID 18965184

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide (CID 169115456) is 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide is CC(=O)N1C[C@H](c2ccccc2)N(C(=O)C(N)=O)C[C@H]1C.
What is the InChIKey of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The InChIKey is KJYQUGNJTCSOGA-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-8-18(15(21)14(16)20)13(9-17(10)11(2)19)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H2,16,20)/t10-,13-/m1/s1.
What are the key properties of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 289.33 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).