2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride

C15H30Cl2N4O2 — CID 119837894

IUPAC2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
SMILESC=CCNC(=O)CN1CCN(C(=O)C(C)(N)CCC)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-4-6-15(3,16)14(21)19-10-8-18(9-11-19)12-13(20)17-7-5-2;;/h5H,2,4,6-12,16H2,1,3H3,(H,17,20);2*1H
InChIKeyDCAVKBVBCHIHEO-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.79
Rot. Bonds7

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

2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride (PubChem CID 119837894) has the molecular formula C15H30Cl2N4O2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
PubChem CID119837894
Molecular FormulaC15H30Cl2N4O2
Molecular Weight369.34 g/mol
Exact Mass368.17
IUPAC Name2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
SMILESC=CCNC(=O)CN1CCN(C(=O)C(C)(N)CCC)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-4-6-15(3,16)14(21)19-10-8-18(9-11-19)12-13(20)17-7-5-2;;/h5H,2,4,6-12,16H2,1,3H3,(H,17,20);2*1H
InChIKeyDCAVKBVBCHIHEO-UHFFFAOYSA-N
XLogP0.79
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.79
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-(2-amino-2-methylbutanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79805132
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154
2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119838581

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride (CID 119837894) is 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride is C=CCNC(=O)CN1CCN(C(=O)C(C)(N)CCC)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The InChIKey is DCAVKBVBCHIHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.2ClH/c1-4-6-15(3,16)14(21)19-10-8-18(9-11-19)12-13(20)17-7-5-2;;/h5H,2,4,6-12,16H2,1,3H3,(H,17,20);2*1H.
What are the key properties of 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride is sourced from PubChem (CID 119837894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).