(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione

C34H34N2O2 — CID 11730822

IUPAC(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](Cc2ccccc2)N([C@@H](C)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C34H34N2O2/c1-25(29-19-11-5-12-20-29)35-31(23-27-15-7-3-8-16-27)34(38)36(26(2)30-21-13-6-14-22-30)32(33(35)37)24-28-17-9-4-10-18-28/h3-22,25-26,31-32H,23-24H2,1-2H3/t25-,26-,31-,32-/m0/s1
InChIKeyLKMOHPNJWORYFJ-MCZNPFQCSA-N
MW502.66 g/mol
LogP6.40
Rot. Bonds8

About (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione

(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione (PubChem CID 11730822) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
PubChem CID11730822
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC Name(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](Cc2ccccc2)N([C@@H](C)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C34H34N2O2/c1-25(29-19-11-5-12-20-29)35-31(23-27-15-7-3-8-16-27)34(38)36(26(2)30-21-13-6-14-22-30)32(33(35)37)24-28-17-9-4-10-18-28/h3-22,25-26,31-32H,23-24H2,1-2H3/t25-,26-,31-,32-/m0/s1
InChIKeyLKMOHPNJWORYFJ-MCZNPFQCSA-N
XLogP6.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione with MolForge

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Related Compounds

(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(2S)-2-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-2H-pyridine
CID 10470251
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
CID 11254918
(3S,6R)-3-[(E)-but-2-enyl]-6-methyl-4-[(1S)-1-phenylethyl]morpholine-2,5-dione
CID 11185308
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione (CID 11730822) is (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione is C[C@@H](c1ccccc1)N1C(=O)[C@H](Cc2ccccc2)N([C@@H](C)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione?
The InChIKey is LKMOHPNJWORYFJ-MCZNPFQCSA-N. The full InChI is InChI=1S/C34H34N2O2/c1-25(29-19-11-5-12-20-29)35-31(23-27-15-7-3-8-16-27)34(38)36(26(2)30-21-13-6-14-22-30)32(33(35)37)24-28-17-9-4-10-18-28/h3-22,25-26,31-32H,23-24H2,1-2H3/t25-,26-,31-,32-/m0/s1.
What are the key properties of (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione?
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione has a molecular weight of 502.66 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione is sourced from PubChem (CID 11730822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).