(3R)-3-butan-2-ylpiperazine-2,5-dione

C8H14N2O2 — CID 77105669

IUPAC(3R)-3-butan-2-ylpiperazine-2,5-dione
SMILESCCC(C)[C@H]1NC(=O)CNC1=O
InChIInChI=1S/C8H14N2O2/c1-3-5(2)7-8(12)9-4-6(11)10-7/h5,7H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5?,7-/m1/s1
InChIKeyRGYQFKJCIVSAKS-NQPNHJOESA-N
MW170.21 g/mol
LogP-0.35
Rot. Bonds2

About (3R)-3-butan-2-ylpiperazine-2,5-dione

(3R)-3-butan-2-ylpiperazine-2,5-dione (PubChem CID 77105669) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R)-3-butan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-butan-2-ylpiperazine-2,5-dione
PubChem CID77105669
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(3R)-3-butan-2-ylpiperazine-2,5-dione
SMILESCCC(C)[C@H]1NC(=O)CNC1=O
InChIInChI=1S/C8H14N2O2/c1-3-5(2)7-8(12)9-4-6(11)10-7/h5,7H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5?,7-/m1/s1
InChIKeyRGYQFKJCIVSAKS-NQPNHJOESA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2S)-butan-2-yl]piperazine-2,5-dione
CID 129365875
(3S,6S,9S)-3,6-bis[(2S)-butan-2-yl]-9-methyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 24853605
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
(3S,6S,9S,12S)-3-[(2S)-butan-2-yl]-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-6-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 177470875
3-butan-2-yl-6-methylpiperazine-2,5-dione
CID 45359405
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
(3S)-3-butan-2-ylmorpholine-2,5-dione
CID 68558922
(3S,6S,9S)-3-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-9-methyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 24853752
15-benzyl-6-butan-2-yl-9-(1-hydroxyethyl)-3-(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 73108759
3,9-di(butan-2-yl)-6,12-bis(hydroxymethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 139291189
10-butan-2-yl-21-methoxy-2-thia-5,8,11,14,25-pentazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-6,9,12,15-tetrone
CID 166887565
(6S,12S,15R,18S,21S)-12,18-bis[(2R)-butan-2-yl]-15-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
CID 163105268

Frequently Asked Questions

What is the IUPAC name of (3R)-3-butan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3R)-3-butan-2-ylpiperazine-2,5-dione (CID 77105669) is (3R)-3-butan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-butan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3R)-3-butan-2-ylpiperazine-2,5-dione is CCC(C)[C@H]1NC(=O)CNC1=O.
What is the InChIKey of (3R)-3-butan-2-ylpiperazine-2,5-dione?
The InChIKey is RGYQFKJCIVSAKS-NQPNHJOESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-5(2)7-8(12)9-4-6(11)10-7/h5,7H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5?,7-/m1/s1.
What are the key properties of (3R)-3-butan-2-ylpiperazine-2,5-dione?
(3R)-3-butan-2-ylpiperazine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 77105669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).