N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide

C13H17N3O2 — CID 941045

IUPACN-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-9-2-4-10(5-3-9)16-12(17)8-11-13(18)15-7-6-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyZSGWYFPHRLVZOE-LLVKDONJSA-N
MW247.30 g/mol
LogP0.41
Rot. Bonds3

About N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide

N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide (PubChem CID 941045) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
PubChem CID941045
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-9-2-4-10(5-3-9)16-12(17)8-11-13(18)15-7-6-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyZSGWYFPHRLVZOE-LLVKDONJSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
CID 2956537
N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 944506
N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 2987992
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794746
2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54794685
N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 54794634
2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 54794666
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 718022

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide (CID 941045) is N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide is Cc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is ZSGWYFPHRLVZOE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-2-4-10(5-3-9)16-12(17)8-11-13(18)15-7-6-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1.
What are the key properties of N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 941045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).