1-methyl-4-prop-2-ynylpiperazin-2-one

C8H12N2O — CID 64693305

IUPAC1-methyl-4-prop-2-ynylpiperazin-2-one
SMILESC#CCN1CCN(C)C(=O)C1
InChIInChI=1S/C8H12N2O/c1-3-4-10-6-5-9(2)8(11)7-10/h1H,4-7H2,2H3
InChIKeyJYULCLFQTZCVEH-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.61
Rot. Bonds1

About 1-methyl-4-prop-2-ynylpiperazin-2-one

1-methyl-4-prop-2-ynylpiperazin-2-one (PubChem CID 64693305) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methyl-4-prop-2-ynylpiperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-prop-2-ynylpiperazin-2-one
PubChem CID64693305
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-methyl-4-prop-2-ynylpiperazin-2-one
SMILESC#CCN1CCN(C)C(=O)C1
InChIInChI=1S/C8H12N2O/c1-3-4-10-6-5-9(2)8(11)7-10/h1H,4-7H2,2H3
InChIKeyJYULCLFQTZCVEH-UHFFFAOYSA-N
XLogP-0.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-3-oxopiperazin-1-yl)acetonitrile
CID 64680343
4-(2-chloroethyl)-1-methylpiperazin-2-one
CID 125497778
1-methyl-4-prop-2-ynylpiperazine-2,5-dione
CID 79941844
4-butyl-1-methylpiperazin-2-one
CID 117005150
2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
CID 55263568
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
N-ethyl-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 166062321
4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 64693730
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
CID 130841155
4-methyl-1-prop-2-ynylpiperazin-2-one
CID 142444878
5-(4-methyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 64693968
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
CID 104750864

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-ynylpiperazin-2-one?
The IUPAC name of 1-methyl-4-prop-2-ynylpiperazin-2-one (CID 64693305) is 1-methyl-4-prop-2-ynylpiperazin-2-one.
What is the SMILES notation for 1-methyl-4-prop-2-ynylpiperazin-2-one?
The canonical SMILES for 1-methyl-4-prop-2-ynylpiperazin-2-one is C#CCN1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-prop-2-ynylpiperazin-2-one?
The InChIKey is JYULCLFQTZCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-10-6-5-9(2)8(11)7-10/h1H,4-7H2,2H3.
What are the key properties of 1-methyl-4-prop-2-ynylpiperazin-2-one?
1-methyl-4-prop-2-ynylpiperazin-2-one has a molecular weight of 152.20 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-ynylpiperazin-2-one is sourced from PubChem (CID 64693305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).