N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride

C13H21Cl2N3O — CID 138393542

IUPACN,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
SMILESCN(C)C(=O)c1cccc(N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-15(2)13(17)11-4-3-5-12(10-11)16-8-6-14-7-9-16;;/h3-5,10,14H,6-9H2,1-2H3;2*1H
InChIKeyGECZMJCEBBGJBR-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.64
Rot. Bonds2

About N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride

N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride (PubChem CID 138393542) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
PubChem CID138393542
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC NameN,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
SMILESCN(C)C(=O)c1cccc(N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-15(2)13(17)11-4-3-5-12(10-11)16-8-6-14-7-9-16;;/h3-5,10,14H,6-9H2,1-2H3;2*1H
InChIKeyGECZMJCEBBGJBR-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 28748940
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
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N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
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1-(3-ethylphenyl)piperazine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride?
The IUPAC name of N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride (CID 138393542) is N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride?
The canonical SMILES for N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride is CN(C)C(=O)c1cccc(N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride?
The InChIKey is GECZMJCEBBGJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-15(2)13(17)11-4-3-5-12(10-11)16-8-6-14-7-9-16;;/h3-5,10,14H,6-9H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride?
N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride is sourced from PubChem (CID 138393542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).