(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione

C11H20N2O2 — CID 16726027

IUPAC(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@@](C)(C(C)C)NC1=O
InChIInChI=1S/C11H20N2O2/c1-6(2)8-9(14)13-11(5,7(3)4)10(15)12-8/h6-8H,1-5H3,(H,12,15)(H,13,14)/t8-,11+/m0/s1
InChIKeyNRZKMSSKDYIHQE-GZMMTYOYSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds2

About (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione

(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 16726027) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID16726027
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@@](C)(C(C)C)NC1=O
InChIInChI=1S/C11H20N2O2/c1-6(2)8-9(14)13-11(5,7(3)4)10(15)12-8/h6-8H,1-5H3,(H,12,15)(H,13,14)/t8-,11+/m0/s1
InChIKeyNRZKMSSKDYIHQE-GZMMTYOYSA-N
XLogP0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
CID 59884179
(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
CID 139085548
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744
6,6-dimethyl-3-propan-2-ylpiperidin-2-one
CID 157148346
3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64883688
(3S,6S)-3-(2,2-dioctadecoxyethyl)-3-[[4-[[(2S,5S)-2-(2,2-dioctadecoxyethyl)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]methyl]phenyl]methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 101215929
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
6,8-di(propan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874595
(3S,5S,8S)-3-[(benzylamino)methyl]-8-propan-2-yl-1,7-diazaspiro[4.4]nonane-2,6,9-trione
CID 71763855
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 16726027) is (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)[C@@H]1NC(=O)[C@@](C)(C(C)C)NC1=O.
What is the InChIKey of (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is NRZKMSSKDYIHQE-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6(2)8-9(14)13-11(5,7(3)4)10(15)12-8/h6-8H,1-5H3,(H,12,15)(H,13,14)/t8-,11+/m0/s1.
What are the key properties of (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 16726027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).