N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C19H25N5O4 — CID 120870299

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C19H25N5O4/c1-23-7-5-22-19(23)15-11-20-4-8-24(15)12-18(25)21-6-9-26-14-2-3-16-17(10-14)28-13-27-16/h2-3,5,7,10,15,20H,4,6,8-9,11-13H2,1H3,(H,21,25)
InChIKeyIXGJSGRYTKHSLH-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.29
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120870299) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120870299
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C19H25N5O4/c1-23-7-5-22-19(23)15-11-20-4-8-24(15)12-18(25)21-6-9-26-14-2-3-16-17(10-14)28-13-27-16/h2-3,5,7,10,15,20H,4,6,8-9,11-13H2,1H3,(H,21,25)
InChIKeyIXGJSGRYTKHSLH-UHFFFAOYSA-N
XLogP0.29
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869984
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-[2-(2,3-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870091
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 120870543
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879066
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120870299) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is Cn1ccnc1C1CNCCN1CC(=O)NCCOc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is IXGJSGRYTKHSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-23-7-5-22-19(23)15-11-20-4-8-24(15)12-18(25)21-6-9-26-14-2-3-16-17(10-14)28-13-27-16/h2-3,5,7,10,15,20H,4,6,8-9,11-13H2,1H3,(H,21,25).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).