3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione

C16H28N2O2 — CID 64971337

IUPAC3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1CC1(C)CCCC1
InChIInChI=1S/C16H28N2O2/c1-11-13(19)17-12(15(2,3)4)14(20)18(11)10-16(5)8-6-7-9-16/h11-12H,6-10H2,1-5H3,(H,17,19)
InChIKeySHAQCUYIFBPXJL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds2

About 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione

3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione (PubChem CID 64971337) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
PubChem CID64971337
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1CC1(C)CCCC1
InChIInChI=1S/C16H28N2O2/c1-11-13(19)17-12(15(2,3)4)14(20)18(11)10-16(5)8-6-7-9-16/h11-12H,6-10H2,1-5H3,(H,17,19)
InChIKeySHAQCUYIFBPXJL-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971117
3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
CID 64902838
3-tert-butyl-6-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586968
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734
6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 114095172
3-tert-butyl-6-methyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902646
3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459018
3-tert-butyl-6-methyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64900733
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3-tert-butyl-6-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627661
3-tert-butyl-6-methyl-1-(2-thiomorpholin-4-ylethyl)piperazine-2,5-dione
CID 106326406
3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902457

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione (CID 64971337) is 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1CC1(C)CCCC1.
What is the InChIKey of 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
The InChIKey is SHAQCUYIFBPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11-13(19)17-12(15(2,3)4)14(20)18(11)10-16(5)8-6-7-9-16/h11-12H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64971337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).