N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride

C15H19ClN4O5 — CID 119618728

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)Nc2cc3c(cc2N)OCO3)C(=O)C1=O.Cl
InChIInChI=1S/C15H18N4O5.ClH/c1-2-18-3-4-19(15(22)14(18)21)7-13(20)17-10-6-12-11(5-9(10)16)23-8-24-12;/h5-6H,2-4,7-8,16H2,1H3,(H,17,20);1H
InChIKeyUOIMVEDITKFGBA-UHFFFAOYSA-N
MW370.79 g/mol
LogP0.05
Rot. Bonds4

About N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119618728) has the molecular formula C15H19ClN4O5 and a molecular weight of 370.79 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
PubChem CID119618728
Molecular FormulaC15H19ClN4O5
Molecular Weight370.79 g/mol
Exact Mass370.10
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)Nc2cc3c(cc2N)OCO3)C(=O)C1=O.Cl
InChIInChI=1S/C15H18N4O5.ClH/c1-2-18-3-4-19(15(22)14(18)21)7-13(20)17-10-6-12-11(5-9(10)16)23-8-24-12;/h5-6H,2-4,7-8,16H2,1H3,(H,17,20);1H
InChIKeyUOIMVEDITKFGBA-UHFFFAOYSA-N
XLogP0.05
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 50.05
H-Bond Donors ≤ 52
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

N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119618986
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119619025
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-(6-amino-1,3-benzodioxol-5-yl)-2-propylsulfanylacetamide
CID 119618391
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119440254
N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119618318
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119618173
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160
N-(6-amino-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119618793
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide;hydrochloride
CID 119619071

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride (CID 119618728) is N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride is CCN1CCN(CC(=O)Nc2cc3c(cc2N)OCO3)C(=O)C1=O.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is UOIMVEDITKFGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5.ClH/c1-2-18-3-4-19(15(22)14(18)21)7-13(20)17-10-6-12-11(5-9(10)16)23-8-24-12;/h5-6H,2-4,7-8,16H2,1H3,(H,17,20);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 370.79 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119618728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).