2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C15H21N3O2 — CID 2656984

IUPAC2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-6-11(2)15(12(3)7-10)17-14(20)9-18-5-4-16-13(19)8-18/h6-7H,4-5,8-9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyYVFFBEWQPZWJPT-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.98
Rot. Bonds3

About 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2656984) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2656984
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-6-11(2)15(12(3)7-10)17-14(20)9-18-5-4-16-13(19)8-18/h6-7H,4-5,8-9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyYVFFBEWQPZWJPT-UHFFFAOYSA-N
XLogP0.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549384
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8962484
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 20980021
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
N-(2-chloro-4,6-dimethylphenyl)-2-(1,4-diazepan-1-yl)acetamide;hydrochloride
CID 119906736
N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361414
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 2656984) is 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCNC(=O)C2)c(C)c1.
What is the InChIKey of 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YVFFBEWQPZWJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-6-11(2)15(12(3)7-10)17-14(20)9-18-5-4-16-13(19)8-18/h6-7H,4-5,8-9H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2656984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).