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

C8H12N2O — CID 142444878

IUPAC4-methyl-1-prop-2-ynylpiperazin-2-one
SMILESC#CCN1CCN(C)CC1=O
InChIInChI=1S/C8H12N2O/c1-3-4-10-6-5-9(2)7-8(10)11/h1H,4-7H2,2H3
InChIKeyZOSZQIOEDCWAGP-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.61
Rot. Bonds1

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

4-methyl-1-prop-2-ynylpiperazin-2-one (PubChem CID 142444878) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-1-prop-2-ynylpiperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-prop-2-ynylpiperazin-2-one
PubChem CID142444878
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methyl-1-prop-2-ynylpiperazin-2-one
SMILESC#CCN1CCN(C)CC1=O
InChIInChI=1S/C8H12N2O/c1-3-4-10-6-5-9(2)7-8(10)11/h1H,4-7H2,2H3
InChIKeyZOSZQIOEDCWAGP-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-ynylpiperazin-2-one?
The IUPAC name of 4-methyl-1-prop-2-ynylpiperazin-2-one (CID 142444878) is 4-methyl-1-prop-2-ynylpiperazin-2-one.
What is the SMILES notation for 4-methyl-1-prop-2-ynylpiperazin-2-one?
The canonical SMILES for 4-methyl-1-prop-2-ynylpiperazin-2-one is C#CCN1CCN(C)CC1=O.
What is the InChIKey of 4-methyl-1-prop-2-ynylpiperazin-2-one?
The InChIKey is ZOSZQIOEDCWAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-10-6-5-9(2)7-8(10)11/h1H,4-7H2,2H3.
What are the key properties of 4-methyl-1-prop-2-ynylpiperazin-2-one?
4-methyl-1-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 4-methyl-1-prop-2-ynylpiperazin-2-one is sourced from PubChem (CID 142444878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).