piperazine-1-carboxamide;hydrochloride

C5H12ClN3O — CID 2769700

IUPACpiperazine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCNCC1
InChIInChI=1S/C5H11N3O.ClH/c6-5(9)8-3-1-7-2-4-8;/h7H,1-4H2,(H2,6,9);1H
InChIKeyUVYKKFKLOUEFAR-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.61
Rot. Bonds

About piperazine-1-carboxamide;hydrochloride

piperazine-1-carboxamide;hydrochloride (PubChem CID 2769700) has the molecular formula C5H12ClN3O and a molecular weight of 165.62 g/mol. Its IUPAC name is piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namepiperazine-1-carboxamide;hydrochloride
PubChem CID2769700
Molecular FormulaC5H12ClN3O
Molecular Weight165.62 g/mol
Exact Mass165.07
IUPAC Namepiperazine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCNCC1
InChIInChI=1S/C5H11N3O.ClH/c6-5(9)8-3-1-7-2-4-8;/h7H,1-4H2,(H2,6,9);1H
InChIKeyUVYKKFKLOUEFAR-UHFFFAOYSA-N
XLogP-0.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-carboxamide;hydrochloride?
The IUPAC name of piperazine-1-carboxamide;hydrochloride (CID 2769700) is piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for piperazine-1-carboxamide;hydrochloride is Cl.NC(=O)N1CCNCC1.
What is the InChIKey of piperazine-1-carboxamide;hydrochloride?
The InChIKey is UVYKKFKLOUEFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.ClH/c6-5(9)8-3-1-7-2-4-8;/h7H,1-4H2,(H2,6,9);1H.
What are the key properties of piperazine-1-carboxamide;hydrochloride?
piperazine-1-carboxamide;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 2769700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).