2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C9H17N3O — CID 2756306

IUPAC2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CN)CC1
InChIInChI=1S/C9H17N3O/c1-2-3-11-4-6-12(7-5-11)9(13)8-10/h2H,1,3-8,10H2
InChIKeyZLLIGTGLSYKGNV-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.72
Rot. Bonds3

About 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 2756306) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID2756306
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CN)CC1
InChIInChI=1S/C9H17N3O/c1-2-3-11-4-6-12(7-5-11)9(13)8-10/h2H,1,3-8,10H2
InChIKeyZLLIGTGLSYKGNV-UHFFFAOYSA-N
XLogP-0.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
1-(4-Allyl-piperazin-1-yl)-2-amino-ethanone dihydrochloride
CID 44890715
Piperazine, 1-acetyl-4-(2-propenyl)-
CID 17147468
2-(methylamino)-N,N-bis(prop-2-enyl)acetamide
CID 24694747
2-amino-N-[(E)-but-2-enyl]-N-butylacetamide
CID 134892588
1-(4-Prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79260833
2-(Prop-2-enylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 79279642
N-allyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 132416144
N,N-dimethyl-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 47010661
2-(diethylamino)-N-prop-2-enylacetamide
CID 51050232
2,3-Piperazinedione, 1-(2-propenyl)-
CID 15572017

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 2756306) is 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is ZLLIGTGLSYKGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-11-4-6-12(7-5-11)9(13)8-10/h2H,1,3-8,10H2.
What are the key properties of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2756306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).