4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one

C15H18N2O2 — CID 64693730

IUPAC4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2ccccc2C#CCO)CC1=O
InChIInChI=1S/C15H18N2O2/c1-16-8-9-17(12-15(16)19)11-14-6-3-2-5-13(14)7-4-10-18/h2-3,5-6,18H,8-12H2,1H3
InChIKeyFWZIPQFNRCHZGD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.30
Rot. Bonds2

About 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one

4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one (PubChem CID 64693730) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one
PubChem CID64693730
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2ccccc2C#CCO)CC1=O
InChIInChI=1S/C15H18N2O2/c1-16-8-9-17(12-15(16)19)11-14-6-3-2-5-13(14)7-4-10-18/h2-3,5-6,18H,8-12H2,1H3
InChIKeyFWZIPQFNRCHZGD-UHFFFAOYSA-N
XLogP0.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one (CID 64693730) is 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one is CN1CCN(Cc2ccccc2C#CCO)CC1=O.
What is the InChIKey of 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one?
The InChIKey is FWZIPQFNRCHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-8-9-17(12-15(16)19)11-14-6-3-2-5-13(14)7-4-10-18/h2-3,5-6,18H,8-12H2,1H3.
What are the key properties of 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one?
4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64693730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).