1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one

C11H20N2O — CID 89042011

IUPAC1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one
SMILESCC(C)=C1N(C)CC(=O)N(C)C1(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)10-11(3,4)13(6)9(14)7-12(10)5/h7H2,1-6H3
InChIKeyXNTSHKHWVMJDIM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.46
Rot. Bonds

About 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one

1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one (PubChem CID 89042011) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one.

Molecular Properties

Compound Name1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one
PubChem CID89042011
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one
SMILESCC(C)=C1N(C)CC(=O)N(C)C1(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)10-11(3,4)13(6)9(14)7-12(10)5/h7H2,1-6H3
InChIKeyXNTSHKHWVMJDIM-UHFFFAOYSA-N
XLogP1.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one?
The IUPAC name of 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one (CID 89042011) is 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one.
What is the SMILES notation for 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one?
The canonical SMILES for 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one is CC(C)=C1N(C)CC(=O)N(C)C1(C)C.
What is the InChIKey of 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one?
The InChIKey is XNTSHKHWVMJDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)10-11(3,4)13(6)9(14)7-12(10)5/h7H2,1-6H3.
What are the key properties of 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one?
1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,6-tetramethyl-5-propan-2-ylidenepiperazin-2-one is sourced from PubChem (CID 89042011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).