1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one

C15H30N2O2 — CID 66649886

IUPAC1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC
InChIInChI=1S/C15H30N2O2/c1-9-15(10-2)12(18)16(13(3,4)5)11-14(6,7)17(15)19-8/h9-11H2,1-8H3
InChIKeyPKTUFGMAOHLRTE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.83
Rot. Bonds3

About 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one

1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one (PubChem CID 66649886) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one
PubChem CID66649886
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC
InChIInChI=1S/C15H30N2O2/c1-9-15(10-2)12(18)16(13(3,4)5)11-14(6,7)17(15)19-8/h9-11H2,1-8H3
InChIKeyPKTUFGMAOHLRTE-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one?
The IUPAC name of 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one (CID 66649886) is 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one is CCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC.
What is the InChIKey of 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one?
The InChIKey is PKTUFGMAOHLRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-9-15(10-2)12(18)16(13(3,4)5)11-14(6,7)17(15)19-8/h9-11H2,1-8H3.
What are the key properties of 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one?
1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one has a molecular weight of 270.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-diethyl-4-methoxy-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 66649886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).