3,3-dimethyl-4-phenacylpiperazin-2-one

C14H18N2O2 — CID 55217276

IUPAC3,3-dimethyl-4-phenacylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(=O)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-14(2)13(18)15-8-9-16(14)10-12(17)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyLNZAENDRUDCAAG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.08
Rot. Bonds3

About 3,3-dimethyl-4-phenacylpiperazin-2-one

3,3-dimethyl-4-phenacylpiperazin-2-one (PubChem CID 55217276) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-phenacylpiperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-phenacylpiperazin-2-one
PubChem CID55217276
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3,3-dimethyl-4-phenacylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(=O)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-14(2)13(18)15-8-9-16(14)10-12(17)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyLNZAENDRUDCAAG-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-phenacylpiperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-phenacylpiperazin-2-one (CID 55217276) is 3,3-dimethyl-4-phenacylpiperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-phenacylpiperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-phenacylpiperazin-2-one is CC1(C)C(=O)NCCN1CC(=O)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-4-phenacylpiperazin-2-one?
The InChIKey is LNZAENDRUDCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)13(18)15-8-9-16(14)10-12(17)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18).
What are the key properties of 3,3-dimethyl-4-phenacylpiperazin-2-one?
3,3-dimethyl-4-phenacylpiperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-phenacylpiperazin-2-one is sourced from PubChem (CID 55217276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).