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

C18H17N3O3 — CID 53304527

IUPAC(6S)-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-/m0/s1
InChIKeyHPNMYXBNZOSXKO-INIZCTEOSA-N
MW323.35 g/mol
LogP1.83
Rot. Bonds4

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

(6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (PubChem CID 53304527) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
PubChem CID53304527
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(6S)-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-/m0/s1
InChIKeyHPNMYXBNZOSXKO-INIZCTEOSA-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

Analyze (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)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

Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
(R)-N-Methyl-2-(3-((Quinoxalin-6-Ylamino)methyl)furan-2-Carbonyl)-2,3,4,9-Tetrahydro-1h-Pyrido[3,4-B]indole-3-Carboxamide
CID 71656932
N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
CID 23647554
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (CID 53304527) is (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (6S)-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 (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is HPNMYXBNZOSXKO-INIZCTEOSA-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-/m0/s1.
What are the key properties of (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
(6S)-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 (6S)-1-(furan-2-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 53304527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).