3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione

C26H23N3O3 — CID 155513446

IUPAC3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione
SMILESO=C1CN(c2ccccc2)C(=O)C(Cc2c(C(O)c3ccccc3)[nH]c3ccccc23)N1
InChIInChI=1S/C26H23N3O3/c30-23-16-29(18-11-5-2-6-12-18)26(32)22(27-23)15-20-19-13-7-8-14-21(19)28-24(20)25(31)17-9-3-1-4-10-17/h1-14,22,25,28,31H,15-16H2,(H,27,30)
InChIKeyIATIFMFDFGBFBA-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.32
Rot. Bonds5

About 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione

3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione (PubChem CID 155513446) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione
PubChem CID155513446
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione
SMILESO=C1CN(c2ccccc2)C(=O)C(Cc2c(C(O)c3ccccc3)[nH]c3ccccc23)N1
InChIInChI=1S/C26H23N3O3/c30-23-16-29(18-11-5-2-6-12-18)26(32)22(27-23)15-20-19-13-7-8-14-21(19)28-24(20)25(31)17-9-3-1-4-10-17/h1-14,22,25,28,31H,15-16H2,(H,27,30)
InChIKeyIATIFMFDFGBFBA-UHFFFAOYSA-N
XLogP3.32
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione?
The IUPAC name of 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione (CID 155513446) is 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione is O=C1CN(c2ccccc2)C(=O)C(Cc2c(C(O)c3ccccc3)[nH]c3ccccc23)N1.
What is the InChIKey of 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione?
The InChIKey is IATIFMFDFGBFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-23-16-29(18-11-5-2-6-12-18)26(32)22(27-23)15-20-19-13-7-8-14-21(19)28-24(20)25(31)17-9-3-1-4-10-17/h1-14,22,25,28,31H,15-16H2,(H,27,30).
What are the key properties of 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione?
3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione has a molecular weight of 425.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione is sourced from PubChem (CID 155513446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).