3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one

C13H24N2O — CID 70648150

IUPAC3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one
SMILESC=C1NC(C(C)CC)C(=O)NC1C(C)CC
InChIInChI=1S/C13H24N2O/c1-6-8(3)11-10(5)14-12(9(4)7-2)13(16)15-11/h8-9,11-12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyVCJPCRRRCZBFGD-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.05
Rot. Bonds4

About 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one

3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one (PubChem CID 70648150) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one.

Molecular Properties

Compound Name3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one
PubChem CID70648150
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one
SMILESC=C1NC(C(C)CC)C(=O)NC1C(C)CC
InChIInChI=1S/C13H24N2O/c1-6-8(3)11-10(5)14-12(9(4)7-2)13(16)15-11/h8-9,11-12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyVCJPCRRRCZBFGD-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one?
The IUPAC name of 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one (CID 70648150) is 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one.
What is the SMILES notation for 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one?
The canonical SMILES for 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one is C=C1NC(C(C)CC)C(=O)NC1C(C)CC.
What is the InChIKey of 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one?
The InChIKey is VCJPCRRRCZBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-8(3)11-10(5)14-12(9(4)7-2)13(16)15-11/h8-9,11-12,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one?
3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(butan-2-yl)-5-methylidenepiperazin-2-one is sourced from PubChem (CID 70648150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).