(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione

C9H16N2O2 — CID 170050689

IUPAC(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)CN(C(C)(C)C)C1=O
InChIInChI=1S/C9H16N2O2/c1-6-8(13)11(9(2,3)4)5-7(12)10-6/h6H,5H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyITVAGEXUMFTSIA-LURJTMIESA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds

About (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione

(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione (PubChem CID 170050689) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione
PubChem CID170050689
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)CN(C(C)(C)C)C1=O
InChIInChI=1S/C9H16N2O2/c1-6-8(13)11(9(2,3)4)5-7(12)10-6/h6H,5H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyITVAGEXUMFTSIA-LURJTMIESA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 64956164
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374
1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64881311
1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione
CID 64971832
3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
CID 106329083
1-but-3-yn-2-yl-3-methylpiperazine-2,5-dione
CID 114420528
3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64880984
1-(3,3-dimethylbutyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64883352
1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 102807608
3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione
CID 59067699

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione (CID 170050689) is (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione is C[C@@H]1NC(=O)CN(C(C)(C)C)C1=O.
What is the InChIKey of (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione?
The InChIKey is ITVAGEXUMFTSIA-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6-8(13)11(9(2,3)4)5-7(12)10-6/h6H,5H2,1-4H3,(H,10,12)/t6-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione?
(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 170050689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).