N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride

C18H28ClN3O2 — CID 120571953

IUPACN-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)N(CCC(=O)N1CCNC(C)C1C)Cc1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-15(2)21(12-10-19-14)18(23)9-11-20(16(3)22)13-17-7-5-4-6-8-17;/h4-8,14-15,19H,9-13H2,1-3H3;1H
InChIKeyUBQZIHJLRAJSPB-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.06
Rot. Bonds5

About N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride

N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride (PubChem CID 120571953) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
PubChem CID120571953
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)N(CCC(=O)N1CCNC(C)C1C)Cc1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-15(2)21(12-10-19-14)18(23)9-11-20(16(3)22)13-17-7-5-4-6-8-17;/h4-8,14-15,19H,9-13H2,1-3H3;1H
InChIKeyUBQZIHJLRAJSPB-UHFFFAOYSA-N
XLogP2.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide
CID 56823123
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 120740899
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
CID 120995809
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 122081287
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 120572709
1-(2,3-dimethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 120572423

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
The IUPAC name of N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride (CID 120571953) is N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride is CC(=O)N(CCC(=O)N1CCNC(C)C1C)Cc1ccccc1.Cl.
What is the InChIKey of N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
The InChIKey is UBQZIHJLRAJSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-14-15(2)21(12-10-19-14)18(23)9-11-20(16(3)22)13-17-7-5-4-6-8-17;/h4-8,14-15,19H,9-13H2,1-3H3;1H.
What are the key properties of N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride is sourced from PubChem (CID 120571953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).