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

C10H18N2O2 — CID 7075896

IUPAC(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C10H18N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-8H,1-4H3,(H,11,14)(H,12,13)/t7-,8-/m0/s1
InChIKeyQGMAWEIDGADSAC-YUMQZZPRSA-N
MW198.27 g/mol
LogP0.28
Rot. Bonds2

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

(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 7075896) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID7075896
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C10H18N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-8H,1-4H3,(H,11,14)(H,12,13)/t7-,8-/m0/s1
InChIKeyQGMAWEIDGADSAC-YUMQZZPRSA-N
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 7075896) is (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O.
What is the InChIKey of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is QGMAWEIDGADSAC-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-8H,1-4H3,(H,11,14)(H,12,13)/t7-,8-/m0/s1.
What are the key properties of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione?
(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 7075896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).