(3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione

C10H18N2O2 — CID 139587941

IUPAC(3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)N1C
InChIInChI=1S/C10H18N2O2/c1-6(2)8-10(14)11(4)7(3)9(13)12(8)5/h6-8H,1-5H3/t7-,8-/m0/s1
InChIKeyPTAASJZWKAJSGL-YUMQZZPRSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds1

About (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione

(3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 139587941) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID139587941
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)N1C
InChIInChI=1S/C10H18N2O2/c1-6(2)8-10(14)11(4)7(3)9(13)12(8)5/h6-8H,1-5H3/t7-,8-/m0/s1
InChIKeyPTAASJZWKAJSGL-YUMQZZPRSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione (CID 139587941) is (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)N1C.
What is the InChIKey of (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PTAASJZWKAJSGL-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)8-10(14)11(4)7(3)9(13)12(8)5/h6-8H,1-5H3/t7-,8-/m0/s1.
What are the key properties of (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione?
(3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1,3,4-trimethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 139587941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).