2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide

C15H21N5O3 — CID 108517914

IUPAC2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide
SMILESNCCN1CCN(C(=O)C(=O)NC(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H21N5O3/c16-5-6-19-7-9-20(10-8-19)15(23)14(22)18-13(21)11-3-1-2-4-12(11)17/h1-4H,5-10,16-17H2,(H,18,21,22)
InChIKeyJONJNLXIBGKYHG-UHFFFAOYSA-N
MW319.36 g/mol
LogP-1.37
Rot. Bonds3

About 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide

2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide (PubChem CID 108517914) has the molecular formula C15H21N5O3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide
PubChem CID108517914
Molecular FormulaC15H21N5O3
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide
SMILESNCCN1CCN(C(=O)C(=O)NC(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H21N5O3/c16-5-6-19-7-9-20(10-8-19)15(23)14(22)18-13(21)11-3-1-2-4-12(11)17/h1-4H,5-10,16-17H2,(H,18,21,22)
InChIKeyJONJNLXIBGKYHG-UHFFFAOYSA-N
XLogP-1.37
TPSA121.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide
CID 108509747
2-amino-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoacetyl]benzamide
CID 108529477
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
CID 108517834
2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide
CID 108515107
2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide
CID 108524895
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide
CID 108523389
2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide
CID 108529491
2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108517764
N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108518014
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide?
The IUPAC name of 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide (CID 108517914) is 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide?
The canonical SMILES for 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide is NCCN1CCN(C(=O)C(=O)NC(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide?
The InChIKey is JONJNLXIBGKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c16-5-6-19-7-9-20(10-8-19)15(23)14(22)18-13(21)11-3-1-2-4-12(11)17/h1-4H,5-10,16-17H2,(H,18,21,22).
What are the key properties of 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide?
2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide has a molecular weight of 319.36 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide is sourced from PubChem (CID 108517914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).