butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one

C15H32N2O — CID 143067244

IUPACbutane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one
SMILESC=C1N(C)CC(=O)N(C)C1(C)C.CC.CCCC
InChIInChI=1S/C9H16N2O.C4H10.C2H6/c1-7-9(2,3)11(5)8(12)6-10(7)4;1-3-4-2;1-2/h1,6H2,2-5H3;3-4H2,1-2H3;1-2H3
InChIKeyLNTPGYVNJYBNGQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.52
Rot. Bonds1

About butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one

butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one (PubChem CID 143067244) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one.

Molecular Properties

Compound Namebutane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one
PubChem CID143067244
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Namebutane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one
SMILESC=C1N(C)CC(=O)N(C)C1(C)C.CC.CCCC
InChIInChI=1S/C9H16N2O.C4H10.C2H6/c1-7-9(2,3)11(5)8(12)6-10(7)4;1-3-4-2;1-2/h1,6H2,2-5H3;3-4H2,1-2H3;1-2H3
InChIKeyLNTPGYVNJYBNGQ-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-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 butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one?
The IUPAC name of butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one (CID 143067244) is butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one.
What is the SMILES notation for butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one?
The canonical SMILES for butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one is C=C1N(C)CC(=O)N(C)C1(C)C.CC.CCCC.
What is the InChIKey of butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one?
The InChIKey is LNTPGYVNJYBNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C4H10.C2H6/c1-7-9(2,3)11(5)8(12)6-10(7)4;1-3-4-2;1-2/h1,6H2,2-5H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one?
butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one has a molecular weight of 256.43 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;1,4,6,6-tetramethyl-5-methylidenepiperazin-2-one is sourced from PubChem (CID 143067244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).