1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one

C10H10N2O2 — CID 45115788

IUPAC1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCN(C(=O)C#C)CC1
InChIInChI=1S/C10H10N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h1-2H,5-8H2
InChIKeyUCPDFVYVHUJGEX-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.08
Rot. Bonds

About 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one

1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one (PubChem CID 45115788) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one
PubChem CID45115788
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCN(C(=O)C#C)CC1
InChIInChI=1S/C10H10N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h1-2H,5-8H2
InChIKeyUCPDFVYVHUJGEX-UHFFFAOYSA-N
XLogP-1.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one?
The IUPAC name of 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one (CID 45115788) is 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one.
What is the SMILES notation for 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one?
The canonical SMILES for 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one is C#CC(=O)N1CCN(C(=O)C#C)CC1.
What is the InChIKey of 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one?
The InChIKey is UCPDFVYVHUJGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h1-2H,5-8H2.
What are the key properties of 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one?
1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one has a molecular weight of 190.20 g/mol, XLogP of -1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one is sourced from PubChem (CID 45115788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).