N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C19H25N5O3 — CID 120870242

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C19H25N5O3/c1-23-8-7-21-19(23)15-11-20-6-9-24(15)12-18(25)22-10-14-13-26-16-4-2-3-5-17(16)27-14/h2-5,7-8,14-15,20H,6,9-13H2,1H3,(H,22,25)
InChIKeyJVNBEZWMKWWEFN-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.32
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120870242) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120870242
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C19H25N5O3/c1-23-8-7-21-19(23)15-11-20-6-9-24(15)12-18(25)22-10-14-13-26-16-4-2-3-5-17(16)27-14/h2-5,7-8,14-15,20H,6,9-13H2,1H3,(H,22,25)
InChIKeyJVNBEZWMKWWEFN-UHFFFAOYSA-N
XLogP0.32
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755525
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 120869804
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-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870299
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120869985
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 120870997
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871315
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 120870751

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120870242) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is Cn1ccnc1C1CNCCN1CC(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is JVNBEZWMKWWEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23-8-7-21-19(23)15-11-20-6-9-24(15)12-18(25)22-10-14-13-26-16-4-2-3-5-17(16)27-14/h2-5,7-8,14-15,20H,6,9-13H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120870242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).