3-benzyl-6-butan-2-ylpiperazine-2,5-dione

C15H20N2O2 — CID 14278866

IUPAC3-benzyl-6-butan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(Cc2ccccc2)NC1=O
InChIInChI=1S/C15H20N2O2/c1-3-10(2)13-15(19)16-12(14(18)17-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFLAZKCMOQNUBTK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.26
Rot. Bonds4

About 3-benzyl-6-butan-2-ylpiperazine-2,5-dione

3-benzyl-6-butan-2-ylpiperazine-2,5-dione (PubChem CID 14278866) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-benzyl-6-butan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-6-butan-2-ylpiperazine-2,5-dione
PubChem CID14278866
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-benzyl-6-butan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(Cc2ccccc2)NC1=O
InChIInChI=1S/C15H20N2O2/c1-3-10(2)13-15(19)16-12(14(18)17-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFLAZKCMOQNUBTK-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6-butan-2-yl-9,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 72749504
(3S,6S,9S,12S)-3-benzyl-12-[(2S)-butan-2-yl]-6-[(2S,3R)-3-hydroxybutan-2-yl]-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 44571997
(3S,6S)-3-butan-2-yl-6-(phenylmethoxymethyl)piperazine-2,5-dione
CID 155546296
(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
(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
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
(3S,6S,9S,12S,15S,18S)-3,15-dibenzyl-9-[(2S)-butan-2-yl]-6,12-bis(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
CID 10240433
3,9-di(butan-2-yl)-6,12-bis(hydroxymethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 139291189
(3R,6S,9R,12S,15S,18R)-3-[(2S)-butan-2-yl]-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 139589795
3-butan-2-yl-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 162815793
(3S,6S)-3-[(2S)-butan-2-yl]-6-phenylpiperazine-2,5-dione
CID 131938649
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-33-benzyl-21-[(2S)-butan-2-yl]-12,27-bis[(1R)-1-hydroxyethyl]-3,6,9,18,30-pentakis(hydroxymethyl)-15,24-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16,19,22,25,28,31,34-dodecazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 177381679

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-butan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-6-butan-2-ylpiperazine-2,5-dione (CID 14278866) is 3-benzyl-6-butan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-6-butan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-6-butan-2-ylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(Cc2ccccc2)NC1=O.
What is the InChIKey of 3-benzyl-6-butan-2-ylpiperazine-2,5-dione?
The InChIKey is FLAZKCMOQNUBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-10(2)13-15(19)16-12(14(18)17-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-benzyl-6-butan-2-ylpiperazine-2,5-dione?
3-benzyl-6-butan-2-ylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-butan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 14278866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).