piperazine;prop-2-enamide

C7H15N3O — CID 23287322

IUPACpiperazine;prop-2-enamide
SMILESC1CNCCN1.C=CC(N)=O
InChIInChI=1S/C4H10N2.C3H5NO/c1-2-6-4-3-5-1;1-2-3(4)5/h5-6H,1-4H2;2H,1H2,(H2,4,5)
InChIKeyCLSVDHLSLGVAPO-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.16
Rot. Bonds1

About piperazine;prop-2-enamide

piperazine;prop-2-enamide (PubChem CID 23287322) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is piperazine;prop-2-enamide.

Molecular Properties

Compound Namepiperazine;prop-2-enamide
PubChem CID23287322
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Namepiperazine;prop-2-enamide
SMILESC1CNCCN1.C=CC(N)=O
InChIInChI=1S/C4H10N2.C3H5NO/c1-2-6-4-3-5-1;1-2-3(4)5/h5-6H,1-4H2;2H,1H2,(H2,4,5)
InChIKeyCLSVDHLSLGVAPO-UHFFFAOYSA-N
XLogP-1.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-Aminoethyl)acrylamide hydrochloride
CID 21939126
N-(2-aminoethyl)acrylamide
CID 152664
1-(Piperazin-1-yl)prop-2-en-1-one
CID 11963076
Piperazine diacrylamide
CID 21918327
N-acryloyl diethylenetriamine
CID 23526136
2-Fluoro-1-piperazin-1-ylprop-2-en-1-one
CID 149093211
N-(2-isocyanoethyl)prop-2-enamide
CID 162416404
N-[2-(methylamino)ethyl]prop-2-enamide
CID 18325503
N-[2-(ethylamino)ethyl]prop-2-enamide
CID 18325521
N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide
CID 22003165
1,2-Dimethylpiperazine;prop-2-enamide
CID 22444655
1-Piperazin-4-ium-1-ylprop-2-en-1-one
CID 28216366

Frequently Asked Questions

What is the IUPAC name of piperazine;prop-2-enamide?
The IUPAC name of piperazine;prop-2-enamide (CID 23287322) is piperazine;prop-2-enamide.
What is the SMILES notation for piperazine;prop-2-enamide?
The canonical SMILES for piperazine;prop-2-enamide is C1CNCCN1.C=CC(N)=O.
What is the InChIKey of piperazine;prop-2-enamide?
The InChIKey is CLSVDHLSLGVAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H5NO/c1-2-6-4-3-5-1;1-2-3(4)5/h5-6H,1-4H2;2H,1H2,(H2,4,5).
What are the key properties of piperazine;prop-2-enamide?
piperazine;prop-2-enamide has a molecular weight of 157.22 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;prop-2-enamide is sourced from PubChem (CID 23287322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).