(3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione

C10H16N2O3 — CID 66582474

IUPAC(3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](CC2CCOCC2)N1
InChIInChI=1S/C10H16N2O3/c13-9-6-11-10(14)8(12-9)5-7-1-3-15-4-2-7/h7-8H,1-6H2,(H,11,14)(H,12,13)/t8-/m0/s1
InChIKeyRTJNJCPDDGPKRV-QMMMGPOBSA-N
MW212.25 g/mol
LogP-0.58
Rot. Bonds2

About (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione

(3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione (PubChem CID 66582474) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione
PubChem CID66582474
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](CC2CCOCC2)N1
InChIInChI=1S/C10H16N2O3/c13-9-6-11-10(14)8(12-9)5-7-1-3-15-4-2-7/h7-8H,1-6H2,(H,11,14)(H,12,13)/t8-/m0/s1
InChIKeyRTJNJCPDDGPKRV-QMMMGPOBSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione (CID 66582474) is (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione is O=C1CNC(=O)[C@H](CC2CCOCC2)N1.
What is the InChIKey of (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is RTJNJCPDDGPKRV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-6-11-10(14)8(12-9)5-7-1-3-15-4-2-7/h7-8H,1-6H2,(H,11,14)(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione?
(3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(oxan-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 66582474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).