(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione

C25H24N2O3 — CID 155535405

IUPAC(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
SMILESO=C1N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C25H24N2O3/c28-24-22(15-18-7-3-1-4-8-18)26-25(29)23(27-24)16-19-11-13-21(14-12-19)30-17-20-9-5-2-6-10-20/h1-14,22-23H,15-17H2,(H,26,29)(H,27,28)/t22-,23+/m0/s1
InChIKeyTZIMAMXIRZNROC-XZOQPEGZSA-N
MW400.48 g/mol
LogP3.03
Rot. Bonds7

About (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione

(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 155535405) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID155535405
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
SMILESO=C1N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C25H24N2O3/c28-24-22(15-18-7-3-1-4-8-18)26-25(29)23(27-24)16-19-11-13-21(14-12-19)30-17-20-9-5-2-6-10-20/h1-14,22-23H,15-17H2,(H,26,29)(H,27,28)/t22-,23+/m0/s1
InChIKeyTZIMAMXIRZNROC-XZOQPEGZSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155546623
(3R,6S)-3-[(4-phenylmethoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 155533576
3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione
CID 58981828
(3S,8aS)-3-[(4-phenylmethoxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 155565792
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
methyl (2S,5S)-6-oxo-5-[(4-phenylmethoxyphenyl)methyl]piperazine-2-carboxylate
CID 13057035
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826
3,6-bis[(4-prop-2-enoxyphenyl)methyl]piperazine-2,5-dione
CID 168859066
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
(3aS,4R,8R,8aS)-8-benzyl-2,2-dimethyl-4-[(4-phenylmethoxyphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 59131827

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione (CID 155535405) is (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione is O=C1N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@H]1Cc1ccccc1.
What is the InChIKey of (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is TZIMAMXIRZNROC-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24-22(15-18-7-3-1-4-8-18)26-25(29)23(27-24)16-19-11-13-21(14-12-19)30-17-20-9-5-2-6-10-20/h1-14,22-23H,15-17H2,(H,26,29)(H,27,28)/t22-,23+/m0/s1.
What are the key properties of (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 400.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 155535405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).