3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione

C22H23N3O3 — CID 90443800

IUPAC3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(O)(Cc2ccccc2)N(C)C(=O)C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O3/c1-24-19(12-16-14-23-18-11-7-6-10-17(16)18)20(26)25(2)22(28,21(24)27)13-15-8-4-3-5-9-15/h3-11,14,19,23,28H,12-13H2,1-2H3
InChIKeyIDBQDWKPCZGGOZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.94
Rot. Bonds4

About 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione

3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione (PubChem CID 90443800) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
PubChem CID90443800
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(O)(Cc2ccccc2)N(C)C(=O)C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O3/c1-24-19(12-16-14-23-18-11-7-6-10-17(16)18)20(26)25(2)22(28,21(24)27)13-15-8-4-3-5-9-15/h3-11,14,19,23,28H,12-13H2,1-2H3
InChIKeyIDBQDWKPCZGGOZ-UHFFFAOYSA-N
XLogP1.94
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
(3R,6S)-3-[(2-fluoro-3-hydroxyphenyl)methyl]-6-[(5-fluoro-4-nitro-1H-indol-3-yl)methyl]-3-hydroxy-1,4-dimethylpiperazine-2,5-dione
CID 158274853
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione
CID 10073370
5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
CID 74830761
(1R,5S)-4-benzyl-4-hydroxy-3-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.2.0]heptan-2-one
CID 122207205
(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide
CID 102060674
(5S)-1-acetyl-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 56949628
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
CID 70203042
(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
CID 18666998

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione (CID 90443800) is 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione is CN1C(=O)C(O)(Cc2ccccc2)N(C)C(=O)C1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is IDBQDWKPCZGGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24-19(12-16-14-23-18-11-7-6-10-17(16)18)20(26)25(2)22(28,21(24)27)13-15-8-4-3-5-9-15/h3-11,14,19,23,28H,12-13H2,1-2H3.
What are the key properties of 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 377.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 90443800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).