1-(4-aminopiperazin-1-yl)prop-2-en-1-one

C7H13N3O — CID 123301186

IUPAC1-(4-aminopiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(N)CC1
InChIInChI=1S/C7H13N3O/c1-2-7(11)9-3-5-10(8)6-4-9/h2H,1,3-6,8H2
InChIKeyYDTLTEWNSMDCOH-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.81
Rot. Bonds1

About 1-(4-aminopiperazin-1-yl)prop-2-en-1-one

1-(4-aminopiperazin-1-yl)prop-2-en-1-one (PubChem CID 123301186) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(4-aminopiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-aminopiperazin-1-yl)prop-2-en-1-one
PubChem CID123301186
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(4-aminopiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(N)CC1
InChIInChI=1S/C7H13N3O/c1-2-7(11)9-3-5-10(8)6-4-9/h2H,1,3-6,8H2
InChIKeyYDTLTEWNSMDCOH-UHFFFAOYSA-N
XLogP-0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(acryloyl)piperazine
CID 193422
1-(4-Methylpiperazin-1-yl)prop-2-en-1-one
CID 13742939
1-Piperazin-4-id-1-ylprop-2-en-1-one;yttrium
CID 59968902
1-Amino-4-prop-2-enylpiperazine-2,3-dione
CID 89872364
N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
CID 123958058
1-(4-Chloropiperazin-1-yl)prop-2-en-1-one
CID 135183450
1-(4-Iodopiperazin-1-yl)prop-2-en-1-one
CID 137505145
1-[4-[Methyl(methylamino)amino]piperazin-1-yl]prop-2-en-1-one
CID 146389480
N-[2-[amino(methyl)amino]ethyl]-N-iodoprop-2-enamide
CID 156334585
Potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one
CID 169133929
1-[4-(Methylideneamino)piperazin-1-yl]prop-2-en-1-one
CID 169135315
1-[4-(Methylamino)piperazin-1-yl]prop-2-en-1-one
CID 170150231

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-aminopiperazin-1-yl)prop-2-en-1-one (CID 123301186) is 1-(4-aminopiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-aminopiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-aminopiperazin-1-yl)prop-2-en-1-one is C=CC(=O)N1CCN(N)CC1.
What is the InChIKey of 1-(4-aminopiperazin-1-yl)prop-2-en-1-one?
The InChIKey is YDTLTEWNSMDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-7(11)9-3-5-10(8)6-4-9/h2H,1,3-6,8H2.
What are the key properties of 1-(4-aminopiperazin-1-yl)prop-2-en-1-one?
1-(4-aminopiperazin-1-yl)prop-2-en-1-one has a molecular weight of 155.20 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 123301186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).