2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride

C12H24Cl2N4O2 — CID 119837882

IUPAC2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
SMILESC=CCNC(=O)CN1CCN(C(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C12H22N4O2.2ClH/c1-3-4-14-11(17)9-15-5-7-16(8-6-15)12(18)10(2)13;;/h3,10H,1,4-9,13H2,2H3,(H,14,17);2*1H/t10-;;/m0../s1
InChIKeyPPRZOUMAFSAZIM-XRIOVQLTSA-N
MW327.26 g/mol
LogP-0.38
Rot. Bonds5

About 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride

2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride (PubChem CID 119837882) has the molecular formula C12H24Cl2N4O2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
PubChem CID119837882
Molecular FormulaC12H24Cl2N4O2
Molecular Weight327.26 g/mol
Exact Mass326.13
IUPAC Name2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
SMILESC=CCNC(=O)CN1CCN(C(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C12H22N4O2.2ClH/c1-3-4-14-11(17)9-15-5-7-16(8-6-15)12(18)10(2)13;;/h3,10H,1,4-9,13H2,2H3,(H,14,17);2*1H/t10-;;/m0../s1
InChIKeyPPRZOUMAFSAZIM-XRIOVQLTSA-N
XLogP-0.38
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 119837821
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-(2-amino-2-methylbutanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79805132
2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837894
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride (CID 119837882) is 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride is C=CCNC(=O)CN1CCN(C(=O)[C@H](C)N)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The InChIKey is PPRZOUMAFSAZIM-XRIOVQLTSA-N. The full InChI is InChI=1S/C12H22N4O2.2ClH/c1-3-4-14-11(17)9-15-5-7-16(8-6-15)12(18)10(2)13;;/h3,10H,1,4-9,13H2,2H3,(H,14,17);2*1H/t10-;;/m0../s1.
What are the key properties of 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride has a molecular weight of 327.26 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride is sourced from PubChem (CID 119837882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).