3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione

C16H23N3O2 — CID 64901135

IUPAC3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(Cc2ccccn2)C1=O
InChIInChI=1S/C16H23N3O2/c1-15(2,3)12-13(20)19(16(4,5)14(21)18-12)10-11-8-6-7-9-17-11/h6-9,12H,10H2,1-5H3,(H,18,21)
InChIKeySQWGZKPOKZZOTB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds2

About 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione

3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64901135) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64901135
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(Cc2ccccn2)C1=O
InChIInChI=1S/C16H23N3O2/c1-15(2,3)12-13(20)19(16(4,5)14(21)18-12)10-11-8-6-7-9-17-11/h6-9,12H,10H2,1-5H3,(H,18,21)
InChIKeySQWGZKPOKZZOTB-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 79260645
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903052
3,3,6,6-tetramethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
CID 117023537
3-tert-butyl-6-ethyl-6-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64901898
1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione
CID 79451893
5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 117023330
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880504
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842250
6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 126853156

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (CID 64901135) is 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is CC(C)(C)C1NC(=O)C(C)(C)N(Cc2ccccn2)C1=O.
What is the InChIKey of 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is SQWGZKPOKZZOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(2,3)12-13(20)19(16(4,5)14(21)18-12)10-11-8-6-7-9-17-11/h6-9,12H,10H2,1-5H3,(H,18,21).
What are the key properties of 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).