(3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione

C15H26N2O3 — CID 53467862

IUPAC(3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILES[2H][C@@]1(CC(C)C)C(=O)N(C(C)=O)[C@H](CC(C)C)C(=O)N1C
InChIInChI=1S/C15H26N2O3/c1-9(2)7-12-15(20)17(11(5)18)13(8-10(3)4)14(19)16(12)6/h9-10,12-13H,7-8H2,1-6H3/t12-,13-/m1/s1/i12D
InChIKeyYCKZEHAYYQZMFR-AXSPBSILSA-N
MW283.39 g/mol
LogP1.66
Rot. Bonds4

About (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione

(3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione (PubChem CID 53467862) has the molecular formula C15H26N2O3 and a molecular weight of 283.39 g/mol. Its IUPAC name is (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione
PubChem CID53467862
Molecular FormulaC15H26N2O3
Molecular Weight283.39 g/mol
Exact Mass283.20
IUPAC Name(3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILES[2H][C@@]1(CC(C)C)C(=O)N(C(C)=O)[C@H](CC(C)C)C(=O)N1C
InChIInChI=1S/C15H26N2O3/c1-9(2)7-12-15(20)17(11(5)18)13(8-10(3)4)14(19)16(12)6/h9-10,12-13H,7-8H2,1-6H3/t12-,13-/m1/s1/i12D
InChIKeyYCKZEHAYYQZMFR-AXSPBSILSA-N
XLogP1.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione (CID 53467862) is (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione is [2H][C@@]1(CC(C)C)C(=O)N(C(C)=O)[C@H](CC(C)C)C(=O)N1C.
What is the InChIKey of (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is YCKZEHAYYQZMFR-AXSPBSILSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(2)7-12-15(20)17(11(5)18)13(8-10(3)4)14(19)16(12)6/h9-10,12-13H,7-8H2,1-6H3/t12-,13-/m1/s1/i12D.
What are the key properties of (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
(3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 283.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-acetyl-3-deuterio-4-methyl-3,6-bis(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 53467862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).