N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide

C15H21N3O2 — CID 28507557

IUPACN-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCCN(C(=O)C(=O)N1CCNCC1)c1cccc(C)c1
InChIInChI=1S/C15H21N3O2/c1-3-18(13-6-4-5-12(2)11-13)15(20)14(19)17-9-7-16-8-10-17/h4-6,11,16H,3,7-10H2,1-2H3
InChIKeyAQFNZDTTXPLILY-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.78
Rot. Bonds2

About N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide

N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 28507557) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID28507557
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCCN(C(=O)C(=O)N1CCNCC1)c1cccc(C)c1
InChIInChI=1S/C15H21N3O2/c1-3-18(13-6-4-5-12(2)11-13)15(20)14(19)17-9-7-16-8-10-17/h4-6,11,16H,3,7-10H2,1-2H3
InChIKeyAQFNZDTTXPLILY-UHFFFAOYSA-N
XLogP0.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.78
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-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
CID 108520654
2-(1,4-diazepan-1-yl)-N-ethyl-N-(4-methylphenyl)-2-oxoacetamide
CID 62004026
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
N,4-diethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 63128862
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide
CID 108507347
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 28507557) is N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide is CCN(C(=O)C(=O)N1CCNCC1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is AQFNZDTTXPLILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18(13-6-4-5-12(2)11-13)15(20)14(19)17-9-7-16-8-10-17/h4-6,11,16H,3,7-10H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 275.35 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28507557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).