(3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione

C14H22N4O3 — CID 166614739

IUPAC(3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione
SMILESCC(C)Cc1nc(CN2C(=O)[C@H](C)N(C)C(=O)[C@@H]2C)no1
InChIInChI=1S/C14H22N4O3/c1-8(2)6-12-15-11(16-21-12)7-18-10(4)13(19)17(5)9(3)14(18)20/h8-10H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeyPPBYOCSXAMZIHY-UWVGGRQHSA-N
MW294.36 g/mol
LogP0.85
Rot. Bonds4

About (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione

(3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione (PubChem CID 166614739) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione
PubChem CID166614739
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione
SMILESCC(C)Cc1nc(CN2C(=O)[C@H](C)N(C)C(=O)[C@@H]2C)no1
InChIInChI=1S/C14H22N4O3/c1-8(2)6-12-15-11(16-21-12)7-18-10(4)13(19)17(5)9(3)14(18)20/h8-10H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeyPPBYOCSXAMZIHY-UWVGGRQHSA-N
XLogP0.85
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione?
The IUPAC name of (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione (CID 166614739) is (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione is CC(C)Cc1nc(CN2C(=O)[C@H](C)N(C)C(=O)[C@@H]2C)no1.
What is the InChIKey of (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione?
The InChIKey is PPBYOCSXAMZIHY-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-8(2)6-12-15-11(16-21-12)7-18-10(4)13(19)17(5)9(3)14(18)20/h8-10H,6-7H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione?
(3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1,3,6-trimethyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 166614739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).