N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride

C12H19Cl2N3O — CID 140869989

IUPACN-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
SMILESCNC(=O)c1ccccc1N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-13-12(16)10-4-2-3-5-11(10)15-8-6-14-7-9-15;;/h2-5,14H,6-9H2,1H3,(H,13,16);2*1H
InChIKeyWSEFIEIOYMPEMW-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.30
Rot. Bonds2

About N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride

N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride (PubChem CID 140869989) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
PubChem CID140869989
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC NameN-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
SMILESCNC(=O)c1ccccc1N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-13-12(16)10-4-2-3-5-11(10)15-8-6-14-7-9-15;;/h2-5,14H,6-9H2,1H3,(H,13,16);2*1H
InChIKeyWSEFIEIOYMPEMW-UHFFFAOYSA-N
XLogP1.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride?
The IUPAC name of N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride (CID 140869989) is N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride?
The canonical SMILES for N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride is CNC(=O)c1ccccc1N1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride?
The InChIKey is WSEFIEIOYMPEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-13-12(16)10-4-2-3-5-11(10)15-8-6-14-7-9-15;;/h2-5,14H,6-9H2,1H3,(H,13,16);2*1H.
What are the key properties of N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride?
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride is sourced from PubChem (CID 140869989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).