3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride

C31H30Cl2N2O2 — CID 22674529

IUPAC3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride
SMILESCl.Cl.O=C1C(C(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C(=O)CN1Cc1ccccc1
InChIInChI=1S/C31H28N2O2.2ClH/c34-28-23-32(21-24-13-5-1-6-14-24)31(35)30(33(28)22-25-15-7-2-8-16-25)29(26-17-9-3-10-18-26)27-19-11-4-12-20-27;;/h1-20,29-30H,21-23H2;2*1H
InChIKeyZVIJIBXKYDZEDM-UHFFFAOYSA-N
MW533.50 g/mol
LogP6.10
Rot. Bonds7

About 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride

3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride (PubChem CID 22674529) has the molecular formula C31H30Cl2N2O2 and a molecular weight of 533.50 g/mol. Its IUPAC name is 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride.

Molecular Properties

Compound Name3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride
PubChem CID22674529
Molecular FormulaC31H30Cl2N2O2
Molecular Weight533.50 g/mol
Exact Mass532.17
IUPAC Name3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride
SMILESCl.Cl.O=C1C(C(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C(=O)CN1Cc1ccccc1
InChIInChI=1S/C31H28N2O2.2ClH/c34-28-23-32(21-24-13-5-1-6-14-24)31(35)30(33(28)22-25-15-7-2-8-16-25)29(26-17-9-3-10-18-26)27-19-11-4-12-20-27;;/h1-20,29-30H,21-23H2;2*1H
InChIKeyZVIJIBXKYDZEDM-UHFFFAOYSA-N
XLogP6.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(11aS)-2-benzyl-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 905966
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione
CID 85064927
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(8S)-6-benzyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 6953778
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 44827800
(3R,8aR)-7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
CID 101131885

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride?
The IUPAC name of 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride (CID 22674529) is 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride.
What is the SMILES notation for 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride?
The canonical SMILES for 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride is Cl.Cl.O=C1C(C(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C(=O)CN1Cc1ccccc1.
What is the InChIKey of 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride?
The InChIKey is ZVIJIBXKYDZEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O2.2ClH/c34-28-23-32(21-24-13-5-1-6-14-24)31(35)30(33(28)22-25-15-7-2-8-16-25)29(26-17-9-3-10-18-26)27-19-11-4-12-20-27;;/h1-20,29-30H,21-23H2;2*1H.
What are the key properties of 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride?
3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride has a molecular weight of 533.50 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride is sourced from PubChem (CID 22674529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).