1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one

C16H32N2O2 — CID 59908450

IUPAC1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCOC(C)(C)C(C)(C)N1CC(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C16H32N2O2/c1-13(2)11-18(12(19)14(3,4)17(13)9)15(5,6)16(7,8)20-10/h11H2,1-10H3
InChIKeyBEOYRABWGSPYNO-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one

1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one (PubChem CID 59908450) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one
PubChem CID59908450
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCOC(C)(C)C(C)(C)N1CC(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C16H32N2O2/c1-13(2)11-18(12(19)14(3,4)17(13)9)15(5,6)16(7,8)20-10/h11H2,1-10H3
InChIKeyBEOYRABWGSPYNO-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The IUPAC name of 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one (CID 59908450) is 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one.
What is the SMILES notation for 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The canonical SMILES for 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one is COC(C)(C)C(C)(C)N1CC(C)(C)N(C)C(C)(C)C1=O.
What is the InChIKey of 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The InChIKey is BEOYRABWGSPYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)11-18(12(19)14(3,4)17(13)9)15(5,6)16(7,8)20-10/h11H2,1-10H3.
What are the key properties of 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one?
1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one has a molecular weight of 284.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,3-dimethylbutan-2-yl)-3,3,4,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 59908450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).