N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

C18H28N4O2 — CID 119915195

IUPACN-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-3-21(13-16-7-5-4-6-8-16)17(23)14-20(2)15-18(24)22-11-9-19-10-12-22/h4-8,19H,3,9-15H2,1-2H3
InChIKeyQESBWZCWNCTXCD-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.40
Rot. Bonds7

About N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (PubChem CID 119915195) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
PubChem CID119915195
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-3-21(13-16-7-5-4-6-8-16)17(23)14-20(2)15-18(24)22-11-9-19-10-12-22/h4-8,19H,3,9-15H2,1-2H3
InChIKeyQESBWZCWNCTXCD-UHFFFAOYSA-N
XLogP0.40
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 56815139
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide
CID 55410721
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119915006
2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 59081958
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
CID 61031966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (CID 119915195) is N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is CCN(Cc1ccccc1)C(=O)CN(C)CC(=O)N1CCNCC1.
What is the InChIKey of N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The InChIKey is QESBWZCWNCTXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-21(13-16-7-5-4-6-8-16)17(23)14-20(2)15-18(24)22-11-9-19-10-12-22/h4-8,19H,3,9-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide has a molecular weight of 332.45 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 119915195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).