N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

C15H21N3O2 — CID 108508950

IUPACN-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c1-2-17-8-10-18(11-9-17)15(20)14(19)16-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,16,19)
InChIKeyLSEZTXXNGOCWPQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.47
Rot. Bonds3

About N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108508950) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108508950
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c1-2-17-8-10-18(11-9-17)15(20)14(19)16-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,16,19)
InChIKeyLSEZTXXNGOCWPQ-UHFFFAOYSA-N
XLogP0.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.47
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-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
CID 108529654
N-ethyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108521458
N-[(4-methylphenyl)methyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984831
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
2-(4-benzylpiperazin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108513856
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517042
4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
CID 60612186
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (CID 108508950) is N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is CCN1CCN(C(=O)C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is LSEZTXXNGOCWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-17-8-10-18(11-9-17)15(20)14(19)16-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,16,19).
What are the key properties of N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 275.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108508950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).