1-methylpiperazine-2-carboxamide;dihydrochloride

C6H15Cl2N3O — CID 23145861

IUPAC1-methylpiperazine-2-carboxamide;dihydrochloride
SMILESCN1CCNCC1C(N)=O.Cl.Cl
InChIInChI=1S/C6H13N3O.2ClH/c1-9-3-2-8-4-5(9)6(7)10;;/h5,8H,2-4H2,1H3,(H2,7,10);2*1H
InChIKeyAIJYQILJUPITDN-UHFFFAOYSA-N
MW216.11 g/mol
LogP-0.78
Rot. Bonds1

About 1-methylpiperazine-2-carboxamide;dihydrochloride

1-methylpiperazine-2-carboxamide;dihydrochloride (PubChem CID 23145861) has the molecular formula C6H15Cl2N3O and a molecular weight of 216.11 g/mol. Its IUPAC name is 1-methylpiperazine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-methylpiperazine-2-carboxamide;dihydrochloride
PubChem CID23145861
Molecular FormulaC6H15Cl2N3O
Molecular Weight216.11 g/mol
Exact Mass215.06
IUPAC Name1-methylpiperazine-2-carboxamide;dihydrochloride
SMILESCN1CCNCC1C(N)=O.Cl.Cl
InChIInChI=1S/C6H13N3O.2ClH/c1-9-3-2-8-4-5(9)6(7)10;;/h5,8H,2-4H2,1H3,(H2,7,10);2*1H
InChIKeyAIJYQILJUPITDN-UHFFFAOYSA-N
XLogP-0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
CID 106933554
propan-2-yl 1-methylpiperazine-2-carboxylate
CID 175918084
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
N-methoxy-N,1-dimethylpiperazine-2-carboxamide
CID 58137843
(2S)-1-methylazetidine-2-carboxamide
CID 59708444
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
(2R)-N-cyclobutyl-1-methylpiperazine-2-carboxamide
CID 89103840
1-methyl-1,4-diazepane-2-carboxylic acid
CID 23090542
1-(2,2-diethoxyethyl)piperazine-2-carboxamide
CID 81093010
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
CID 116919723

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-methylpiperazine-2-carboxamide;dihydrochloride (CID 23145861) is 1-methylpiperazine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-methylpiperazine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-methylpiperazine-2-carboxamide;dihydrochloride is CN1CCNCC1C(N)=O.Cl.Cl.
What is the InChIKey of 1-methylpiperazine-2-carboxamide;dihydrochloride?
The InChIKey is AIJYQILJUPITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O.2ClH/c1-9-3-2-8-4-5(9)6(7)10;;/h5,8H,2-4H2,1H3,(H2,7,10);2*1H.
What are the key properties of 1-methylpiperazine-2-carboxamide;dihydrochloride?
1-methylpiperazine-2-carboxamide;dihydrochloride has a molecular weight of 216.11 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 23145861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).