2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile

C18H33N3O2 — CID 18760488

IUPAC2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile
SMILESCCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC(C)(C)C#N
InChIInChI=1S/C18H33N3O2/c1-10-18(11-2)14(22)20(15(3,4)5)13-16(6,7)21(18)23-17(8,9)12-19/h10-11,13H2,1-9H3
InChIKeyZLSULMZGWDODMA-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile

2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile (PubChem CID 18760488) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile
PubChem CID18760488
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile
SMILESCCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC(C)(C)C#N
InChIInChI=1S/C18H33N3O2/c1-10-18(11-2)14(22)20(15(3,4)5)13-16(6,7)21(18)23-17(8,9)12-19/h10-11,13H2,1-9H3
InChIKeyZLSULMZGWDODMA-UHFFFAOYSA-N
XLogP3.50
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile?
The IUPAC name of 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile (CID 18760488) is 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile?
The canonical SMILES for 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile is CCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC(C)(C)C#N.
What is the InChIKey of 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile?
The InChIKey is ZLSULMZGWDODMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-10-18(11-2)14(22)20(15(3,4)5)13-16(6,7)21(18)23-17(8,9)12-19/h10-11,13H2,1-9H3.
What are the key properties of 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile?
2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile has a molecular weight of 323.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxy-2-methylpropanenitrile is sourced from PubChem (CID 18760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).