4-tert-butyl-5-methylidenepiperazin-2-one

C9H16N2O — CID 59009296

IUPAC4-tert-butyl-5-methylidenepiperazin-2-one
SMILESC=C1CNC(=O)CN1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7-5-10-8(12)6-11(7)9(2,3)4/h1,5-6H2,2-4H3,(H,10,12)
InChIKeyHEYJZTJNKCCQLS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.73
Rot. Bonds

About 4-tert-butyl-5-methylidenepiperazin-2-one

4-tert-butyl-5-methylidenepiperazin-2-one (PubChem CID 59009296) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-tert-butyl-5-methylidenepiperazin-2-one.

Molecular Properties

Compound Name4-tert-butyl-5-methylidenepiperazin-2-one
PubChem CID59009296
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-tert-butyl-5-methylidenepiperazin-2-one
SMILESC=C1CNC(=O)CN1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7-5-10-8(12)6-11(7)9(2,3)4/h1,5-6H2,2-4H3,(H,10,12)
InChIKeyHEYJZTJNKCCQLS-UHFFFAOYSA-N
XLogP0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methylidenepiperazin-2-one?
The IUPAC name of 4-tert-butyl-5-methylidenepiperazin-2-one (CID 59009296) is 4-tert-butyl-5-methylidenepiperazin-2-one.
What is the SMILES notation for 4-tert-butyl-5-methylidenepiperazin-2-one?
The canonical SMILES for 4-tert-butyl-5-methylidenepiperazin-2-one is C=C1CNC(=O)CN1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methylidenepiperazin-2-one?
The InChIKey is HEYJZTJNKCCQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-5-10-8(12)6-11(7)9(2,3)4/h1,5-6H2,2-4H3,(H,10,12).
What are the key properties of 4-tert-butyl-5-methylidenepiperazin-2-one?
4-tert-butyl-5-methylidenepiperazin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methylidenepiperazin-2-one is sourced from PubChem (CID 59009296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).