acetic acid;piperazine-2-carboxamide

C7H15N3O3 — CID 174786994

IUPACacetic acid;piperazine-2-carboxamide
SMILESCC(=O)O.NC(=O)C1CNCCN1
InChIInChI=1S/C5H11N3O.C2H4O2/c6-5(9)4-3-7-1-2-8-4;1-2(3)4/h4,7-8H,1-3H2,(H2,6,9);1H3,(H,3,4)
InChIKeyMHDRIPGMUMOZNK-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.88
Rot. Bonds1

About acetic acid;piperazine-2-carboxamide

acetic acid;piperazine-2-carboxamide (PubChem CID 174786994) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is acetic acid;piperazine-2-carboxamide.

Molecular Properties

Compound Nameacetic acid;piperazine-2-carboxamide
PubChem CID174786994
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Nameacetic acid;piperazine-2-carboxamide
SMILESCC(=O)O.NC(=O)C1CNCCN1
InChIInChI=1S/C5H11N3O.C2H4O2/c6-5(9)4-3-7-1-2-8-4;1-2(3)4/h4,7-8H,1-3H2,(H2,6,9);1H3,(H,3,4)
InChIKeyMHDRIPGMUMOZNK-UHFFFAOYSA-N
XLogP-1.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;piperazine-2-carboxamide
CID 14877963
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 174786994) 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.NC(=O)C1CNCCN1.
What is the InChIKey of acetic acid;piperazine-2-carboxamide?
The InChIKey is MHDRIPGMUMOZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C2H4O2/c6-5(9)4-3-7-1-2-8-4;1-2(3)4/h4,7-8H,1-3H2,(H2,6,9);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 189.21 g/mol, XLogP of -1.88, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;piperazine-2-carboxamide is sourced from PubChem (CID 174786994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).