6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione

C17H22N2O2 — CID 64879136

IUPAC6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)C(=O)NCC(=O)N1CC1CCCc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2)16(21)18-10-15(20)19(17)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,13H,5,7-8,10-11H2,1-2H3,(H,18,21)
InChIKeyPMGAVFYDVMQXKY-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds2

About 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione

6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione (PubChem CID 64879136) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione
PubChem CID64879136
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)C(=O)NCC(=O)N1CC1CCCc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2)16(21)18-10-15(20)19(17)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,13H,5,7-8,10-11H2,1-2H3,(H,18,21)
InChIKeyPMGAVFYDVMQXKY-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156328
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64833584
2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)azepane
CID 79117995
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methanamine
CID 63771609
6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
CID 116788347

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione (CID 64879136) is 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione is CC1(C)C(=O)NCC(=O)N1CC1CCCc2ccccc21.
What is the InChIKey of 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione?
The InChIKey is PMGAVFYDVMQXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)16(21)18-10-15(20)19(17)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9,13H,5,7-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione?
6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64879136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).