acetic acid;piperazine-2-carboxamide

C9H19N3O5 — CID 14877963

IUPACacetic acid;piperazine-2-carboxamide
SMILESCC(=O)O.CC(=O)O.NC(=O)C1CNCCN1
InChIInChI=1S/C5H11N3O.2C2H4O2/c6-5(9)4-3-7-1-2-8-4;2*1-2(3)4/h4,7-8H,1-3H2,(H2,6,9);2*1H3,(H,3,4)
InChIKeyWZSLIBXDOXFGDD-UHFFFAOYSA-N
MW249.27 g/mol
LogP-1.79
Rot. Bonds1

About acetic acid;piperazine-2-carboxamide

acetic acid;piperazine-2-carboxamide (PubChem CID 14877963) has the molecular formula C9H19N3O5 and a molecular weight of 249.27 g/mol. Its IUPAC name is acetic acid;piperazine-2-carboxamide.

Molecular Properties

Compound Nameacetic acid;piperazine-2-carboxamide
PubChem CID14877963
Molecular FormulaC9H19N3O5
Molecular Weight249.27 g/mol
Exact Mass249.13
IUPAC Nameacetic acid;piperazine-2-carboxamide
SMILESCC(=O)O.CC(=O)O.NC(=O)C1CNCCN1
InChIInChI=1S/C5H11N3O.2C2H4O2/c6-5(9)4-3-7-1-2-8-4;2*1-2(3)4/h4,7-8H,1-3H2,(H2,6,9);2*1H3,(H,3,4)
InChIKeyWZSLIBXDOXFGDD-UHFFFAOYSA-N
XLogP-1.79
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;piperazine-2-carboxamide
CID 174786994
piperazine-2-carboxamide;1H-pyrrole;hydrochloride
CID 174816364
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113791
piperazine-2-carboxylic acid
CID 2723758
piperazine-2-carboxylic acid;hydrochloride
CID 52987850
4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide
CID 174908867
ethyl piperazine-2-carboxylate
CID 10633257
N,N-dimethylpiperazine-2-carboxamide
CID 21295694
2-[(E)-but-2-en-2-yl]piperazine;ethane
CID 169255491
1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113787
N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
CID 83121811
2-methylpiperazine;oxalic acid
CID 67824953

Frequently Asked Questions

What is the IUPAC name of acetic acid;piperazine-2-carboxamide?
The IUPAC name of acetic acid;piperazine-2-carboxamide (CID 14877963) is acetic acid;piperazine-2-carboxamide.
What is the SMILES notation for acetic acid;piperazine-2-carboxamide?
The canonical SMILES for acetic acid;piperazine-2-carboxamide is CC(=O)O.CC(=O)O.NC(=O)C1CNCCN1.
What is the InChIKey of acetic acid;piperazine-2-carboxamide?
The InChIKey is WZSLIBXDOXFGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.2C2H4O2/c6-5(9)4-3-7-1-2-8-4;2*1-2(3)4/h4,7-8H,1-3H2,(H2,6,9);2*1H3,(H,3,4).
What are the key properties of acetic acid;piperazine-2-carboxamide?
acetic acid;piperazine-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -1.79, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;piperazine-2-carboxamide is sourced from PubChem (CID 14877963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).