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

C14H19N3O2 — CID 169115432

IUPAC2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CN(C(=O)C(N)=O)[C@@H](c2ccccc2)CN1C
InChIInChI=1S/C14H19N3O2/c1-10-8-17(14(19)13(15)18)12(9-16(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,18)/t10-,12-/m1/s1
InChIKeyWSOJWTBGGKLVRW-ZYHUDNBSSA-N
MW261.32 g/mol
LogP0.38
Rot. Bonds1

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

2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115432) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
PubChem CID169115432
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CN(C(=O)C(N)=O)[C@@H](c2ccccc2)CN1C
InChIInChI=1S/C14H19N3O2/c1-10-8-17(14(19)13(15)18)12(9-16(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,18)/t10-,12-/m1/s1
InChIKeyWSOJWTBGGKLVRW-ZYHUDNBSSA-N
XLogP0.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.38
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-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115456
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
2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115911
tert-butyl 4-oxamoyl-3-phenylpiperazine-1-carboxylate
CID 169115760
2-phenylaziridine-1-carboxylic acid
CID 87708946
2,2,2-trifluoroethyl 2-[5-methyl-4-(1-methylcyclopropyl)-2-phenylpiperazin-1-yl]-2-oxoacetate
CID 169115208
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
ethyl 2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetate
CID 164994233
lithium 2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetate
CID 164751848
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
1-[(2R)-2-phenylaziridin-1-yl]but-2-en-1-one
CID 123139269

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide (CID 169115432) is 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide is C[C@@H]1CN(C(=O)C(N)=O)[C@@H](c2ccccc2)CN1C.
What is the InChIKey of 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The InChIKey is WSOJWTBGGKLVRW-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-8-17(14(19)13(15)18)12(9-16(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,18)/t10-,12-/m1/s1.
What are the key properties of 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?
2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 261.32 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).