potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one

C8H14KN3O — CID 169133929

IUPACpotassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(N)[CH-]C1C.[K+]
InChIInChI=1S/C8H14N3O.K/c1-3-8(12)11-5-4-10(9)6-7(11)2;/h3,6-7H,1,4-5,9H2,2H3;/q-1;+1
InChIKeyZGAQLTDKWPFQIV-UHFFFAOYSA-N
MW207.32 g/mol
LogP-3.26
Rot. Bonds1

About potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one

potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one (PubChem CID 169133929) has the molecular formula C8H14KN3O and a molecular weight of 207.32 g/mol. Its IUPAC name is potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Namepotassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one
PubChem CID169133929
Molecular FormulaC8H14KN3O
Molecular Weight207.32 g/mol
Exact Mass207.08
IUPAC Namepotassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(N)[CH-]C1C.[K+]
InChIInChI=1S/C8H14N3O.K/c1-3-8(12)11-5-4-10(9)6-7(11)2;/h3,6-7H,1,4-5,9H2,2H3;/q-1;+1
InChIKeyZGAQLTDKWPFQIV-UHFFFAOYSA-N
XLogP-3.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 5-3.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
1-(4-Butan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 62773092
1-(3,4-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 63609384
1-(4-Ethyl-3-methylpiperazin-1-yl)prop-2-en-1-one
CID 63609914
1-(2,4-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 105585761
1-(3,4,5-Trimethylpiperazin-1-yl)prop-2-en-1-one
CID 114544450
1-(4-Aminopiperazin-1-yl)prop-2-en-1-one
CID 123301186
1-(3-Methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 123633503
1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one
CID 131007359
1-[(2R)-2,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 134517820
1-(2-Methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 135165350
1-(4-Iodo-3-methylpiperazin-1-yl)prop-2-en-1-one
CID 139337862

Frequently Asked Questions

What is the IUPAC name of potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one?
The IUPAC name of potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one (CID 169133929) is potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one.
What is the SMILES notation for potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one?
The canonical SMILES for potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one is C=CC(=O)N1CCN(N)[CH-]C1C.[K+].
What is the InChIKey of potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one?
The InChIKey is ZGAQLTDKWPFQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O.K/c1-3-8(12)11-5-4-10(9)6-7(11)2;/h3,6-7H,1,4-5,9H2,2H3;/q-1;+1.
What are the key properties of potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one?
potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one has a molecular weight of 207.32 g/mol, XLogP of -3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4-amino-2-methylpiperazin-3-id-1-yl)prop-2-en-1-one is sourced from PubChem (CID 169133929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).