(3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione

C16H18N2O4 — CID 146167899

IUPAC(3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2ccco2)N(C)C(=O)[C@@H]1Cc1ccco1
InChIInChI=1S/C16H18N2O4/c1-17-13(9-11-5-3-7-21-11)16(20)18(2)14(15(17)19)10-12-6-4-8-22-12/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyLUANDLXNZRCJLC-KBPBESRZSA-N
MW302.33 g/mol
LogP1.33
Rot. Bonds4

About (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione

(3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione (PubChem CID 146167899) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
PubChem CID146167899
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2ccco2)N(C)C(=O)[C@@H]1Cc1ccco1
InChIInChI=1S/C16H18N2O4/c1-17-13(9-11-5-3-7-21-11)16(20)18(2)14(15(17)19)10-12-6-4-8-22-12/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyLUANDLXNZRCJLC-KBPBESRZSA-N
XLogP1.33
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione (CID 146167899) is (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione is CN1C(=O)[C@H](Cc2ccco2)N(C)C(=O)[C@@H]1Cc1ccco1.
What is the InChIKey of (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is LUANDLXNZRCJLC-KBPBESRZSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17-13(9-11-5-3-7-21-11)16(20)18(2)14(15(17)19)10-12-6-4-8-22-12/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
(3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 302.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 146167899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).