N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride

C14H22ClN3O3 — CID 132785417

IUPACN-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CN2CCNCC2)c1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-19-11-3-4-13(20-2)12(9-11)16-14(18)10-17-7-5-15-6-8-17;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);1H
InChIKeyCRMHHZDBUZBTLZ-UHFFFAOYSA-N
MW315.80 g/mol
LogP0.97
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride

N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride (PubChem CID 132785417) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
PubChem CID132785417
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CN2CCNCC2)c1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-19-11-3-4-13(20-2)12(9-11)16-14(18)10-17-7-5-15-6-8-17;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);1H
InChIKeyCRMHHZDBUZBTLZ-UHFFFAOYSA-N
XLogP0.97
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
2-(1,4-diazepan-1-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119906303
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
2-(1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 119906331
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36897882
N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride (CID 132785417) is N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride is COc1ccc(OC)c(NC(=O)CN2CCNCC2)c1.Cl.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
The InChIKey is CRMHHZDBUZBTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-19-11-3-4-13(20-2)12(9-11)16-14(18)10-17-7-5-15-6-8-17;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 132785417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).