piperazine-2-carboxamide;1H-pyrrole;hydrochloride

C9H17ClN4O — CID 174816364

IUPACpiperazine-2-carboxamide;1H-pyrrole;hydrochloride
SMILESCl.NC(=O)C1CNCCN1.c1cc[nH]c1
InChIInChI=1S/C5H11N3O.C4H5N.ClH/c6-5(9)4-3-7-1-2-8-4;1-2-4-5-3-1;/h4,7-8H,1-3H2,(H2,6,9);1-5H;1H
InChIKeyFDZONEFZBIHFLH-UHFFFAOYSA-N
MW232.72 g/mol
LogP-0.53
Rot. Bonds1

About piperazine-2-carboxamide;1H-pyrrole;hydrochloride

piperazine-2-carboxamide;1H-pyrrole;hydrochloride (PubChem CID 174816364) has the molecular formula C9H17ClN4O and a molecular weight of 232.72 g/mol. Its IUPAC name is piperazine-2-carboxamide;1H-pyrrole;hydrochloride.

Molecular Properties

Compound Namepiperazine-2-carboxamide;1H-pyrrole;hydrochloride
PubChem CID174816364
Molecular FormulaC9H17ClN4O
Molecular Weight232.72 g/mol
Exact Mass232.11
IUPAC Namepiperazine-2-carboxamide;1H-pyrrole;hydrochloride
SMILESCl.NC(=O)C1CNCCN1.c1cc[nH]c1
InChIInChI=1S/C5H11N3O.C4H5N.ClH/c6-5(9)4-3-7-1-2-8-4;1-2-4-5-3-1;/h4,7-8H,1-3H2,(H2,6,9);1-5H;1H
InChIKeyFDZONEFZBIHFLH-UHFFFAOYSA-N
XLogP-0.53
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.72
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of piperazine-2-carboxamide;1H-pyrrole;hydrochloride?
The IUPAC name of piperazine-2-carboxamide;1H-pyrrole;hydrochloride (CID 174816364) is piperazine-2-carboxamide;1H-pyrrole;hydrochloride.
What is the SMILES notation for piperazine-2-carboxamide;1H-pyrrole;hydrochloride?
The canonical SMILES for piperazine-2-carboxamide;1H-pyrrole;hydrochloride is Cl.NC(=O)C1CNCCN1.c1cc[nH]c1.
What is the InChIKey of piperazine-2-carboxamide;1H-pyrrole;hydrochloride?
The InChIKey is FDZONEFZBIHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C4H5N.ClH/c6-5(9)4-3-7-1-2-8-4;1-2-4-5-3-1;/h4,7-8H,1-3H2,(H2,6,9);1-5H;1H.
What are the key properties of piperazine-2-carboxamide;1H-pyrrole;hydrochloride?
piperazine-2-carboxamide;1H-pyrrole;hydrochloride has a molecular weight of 232.72 g/mol, XLogP of -0.53, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2-carboxamide;1H-pyrrole;hydrochloride is sourced from PubChem (CID 174816364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).