(6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

C18H17N3O3 — CID 53304528

IUPAC(6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccco2)[C@@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O3/c22-17-10-20-18(23)16(21(17)11-13-4-3-7-24-13)8-12-9-19-15-6-2-1-5-14(12)15/h1-7,9,16,19H,8,10-11H2,(H,20,23)/t16-/m1/s1
InChIKeyHPNMYXBNZOSXKO-MRXNPFEDSA-N
MW323.35 g/mol
LogP1.83
Rot. Bonds4

About (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

(6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (PubChem CID 53304528) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
PubChem CID53304528
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccco2)[C@@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O3/c22-17-10-20-18(23)16(21(17)11-13-4-3-7-24-13)8-12-9-19-15-6-2-1-5-14(12)15/h1-7,9,16,19H,8,10-11H2,(H,20,23)/t16-/m1/s1
InChIKeyHPNMYXBNZOSXKO-MRXNPFEDSA-N
XLogP1.83
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (CID 53304528) is (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione is O=C1NCC(=O)N(Cc2ccco2)[C@@H]1Cc1c[nH]c2ccccc12.
What is the InChIKey of (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is HPNMYXBNZOSXKO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17-10-20-18(23)16(21(17)11-13-4-3-7-24-13)8-12-9-19-15-6-2-1-5-14(12)15/h1-7,9,16,19H,8,10-11H2,(H,20,23)/t16-/m1/s1.
What are the key properties of (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
(6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 323.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 53304528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).