3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione

C19H28N2O2 — CID 20676238

IUPAC3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(Cc2ccccc2)C(=O)N1CC(C)C
InChIInChI=1S/C19H28N2O2/c1-13(2)10-17-18(22)20-16(11-15-8-6-5-7-9-15)19(23)21(17)12-14(3)4/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,20,22)
InChIKeyYZRXERCFVKZKMI-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.63
Rot. Bonds6

About 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione

3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione (PubChem CID 20676238) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
PubChem CID20676238
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(Cc2ccccc2)C(=O)N1CC(C)C
InChIInChI=1S/C19H28N2O2/c1-13(2)10-17-18(22)20-16(11-15-8-6-5-7-9-15)19(23)21(17)12-14(3)4/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,20,22)
InChIKeyYZRXERCFVKZKMI-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
(3R,6R,9R,12R,15R)-12-benzyl-1,7-dimethyl-3,9,15-tris(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 11284974
(3R,6S,9S,12S,15R)-12-benzyl-1-methyl-6,9,15-tris(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102076216
(3R,6R,9R,12R,15R)-3-benzyl-1,7-dimethyl-6,12-bis(2-methylpropyl)-9,15-di(propan-2-yl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25016987
(3S,6S,9S,12S,15S)-12-benzyl-1-methyl-3,9,15-tris(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 11444787
(3R,6R,9R,12R,15R)-12-benzyl-1-methyl-3,9,15-tris(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 11353895
5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242743
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
(3S,6S,9S,12S,15S)-12-benzyl-1,4-dimethyl-6,15-bis(2-methylpropyl)-3,9-di(propan-2-yl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25017523
(3S,6S,9S,12S,15S)-3-benzyl-9-methyl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 24778037
(3S,6R,9R,12S,15S)-3-benzyl-6,9,15-tris(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 52949314
(3R,6R,9R,12R,15S,18S,21R,24R,27S,30R)-3,18-dibenzyl-6,12,15,21,27,30-hexakis(2-methylpropyl)-9,24-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacontane-2,5,8,11,14,17,20,23,26,29-decone
CID 45483926

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione (CID 20676238) is 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NC(Cc2ccccc2)C(=O)N1CC(C)C.
What is the InChIKey of 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is YZRXERCFVKZKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)10-17-18(22)20-16(11-15-8-6-5-7-9-15)19(23)21(17)12-14(3)4/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,20,22).
What are the key properties of 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione?
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 316.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 20676238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).