(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione

C12H22N2O2 — CID 7076241

IUPAC(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)CC)NC1=O
InChIInChI=1S/C12H22N2O2/c1-5-7(3)9-11(15)14-10(8(4)6-2)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t7-,8-,9+,10+/m1/s1
InChIKeyZRLVJNQOEORYIS-IMSYWVGJSA-N
MW226.32 g/mol
LogP1.06
Rot. Bonds4

About (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione

(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione (PubChem CID 7076241) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
PubChem CID7076241
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)CC)NC1=O
InChIInChI=1S/C12H22N2O2/c1-5-7(3)9-11(15)14-10(8(4)6-2)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t7-,8-,9+,10+/m1/s1
InChIKeyZRLVJNQOEORYIS-IMSYWVGJSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-butan-2-yl-6-methylpiperazine-2,5-dione
CID 45359405
3,9-di(butan-2-yl)-6,12-bis(hydroxymethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 139291189
(3S,6S)-3-butan-2-yl-6-(2-methylpropyl)piperazine-2,5-dione
CID 15226952
(3S,6R,9S,12S,15R,18S)-3,6,12-tris[(2S)-butan-2-yl]-9,15,18-tris(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 146035611
3-benzyl-6-butan-2-ylpiperazine-2,5-dione
CID 14278866
(3S,6S)-3-[(2S)-butan-2-yl]-6-phenylpiperazine-2,5-dione
CID 131938649
2-[(2R,5R)-5-[(2R)-butan-2-yl]-3,6-dioxopiperazin-2-yl]acetamide
CID 163061596
(3S,6S,9S)-3,6-bis[(2S)-butan-2-yl]-9-methyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 24853605
(3R)-3-butan-2-ylpiperazine-2,5-dione
CID 77105669
(3R)-3-[(2S)-butan-2-yl]piperazine-2,5-dione
CID 129365875
(3S,9S,12S,15S)-9,12-bis[(2S)-butan-2-yl]-1,7,10,13-tetrazatricyclo[13.3.0.03,7]octadecane-2,8,11,14-tetrone
CID 163017124
(3S,6S)-3-[(2S)-butan-2-yl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 131941712

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione (CID 7076241) is (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione is CC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)CC)NC1=O.
What is the InChIKey of (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione?
The InChIKey is ZRLVJNQOEORYIS-IMSYWVGJSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-7(3)9-11(15)14-10(8(4)6-2)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t7-,8-,9+,10+/m1/s1.
What are the key properties of (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione?
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione is sourced from PubChem (CID 7076241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).