1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one

C15H30N2O — CID 18760487

IUPAC1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one
SMILESCCC1(CC)CN(C(C)(C)C)C(=O)C(C)(CC)N1
InChIInChI=1S/C15H30N2O/c1-8-14(7)12(18)17(13(4,5)6)11-15(9-2,10-3)16-14/h16H,8-11H2,1-7H3
InChIKeyOINMIGAEHQMAPX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.94
Rot. Bonds3

About 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one

1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one (PubChem CID 18760487) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one
PubChem CID18760487
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one
SMILESCCC1(CC)CN(C(C)(C)C)C(=O)C(C)(CC)N1
InChIInChI=1S/C15H30N2O/c1-8-14(7)12(18)17(13(4,5)6)11-15(9-2,10-3)16-14/h16H,8-11H2,1-7H3
InChIKeyOINMIGAEHQMAPX-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one?
The IUPAC name of 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one (CID 18760487) is 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one.
What is the SMILES notation for 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one?
The canonical SMILES for 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one is CCC1(CC)CN(C(C)(C)C)C(=O)C(C)(CC)N1.
What is the InChIKey of 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one?
The InChIKey is OINMIGAEHQMAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-8-14(7)12(18)17(13(4,5)6)11-15(9-2,10-3)16-14/h16H,8-11H2,1-7H3.
What are the key properties of 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one?
1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5,5-triethyl-3-methylpiperazin-2-one is sourced from PubChem (CID 18760487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).