(3R)-1,3-diethylpiperazin-2-one

C8H16N2O — CID 96645682

IUPAC(3R)-1,3-diethylpiperazin-2-one
SMILESCC[C@H]1NCCN(CC)C1=O
InChIInChI=1S/C8H16N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyPAJMMWJDTTVBSJ-SSDOTTSWSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds2

About (3R)-1,3-diethylpiperazin-2-one

(3R)-1,3-diethylpiperazin-2-one (PubChem CID 96645682) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3R)-1,3-diethylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1,3-diethylpiperazin-2-one
PubChem CID96645682
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3R)-1,3-diethylpiperazin-2-one
SMILESCC[C@H]1NCCN(CC)C1=O
InChIInChI=1S/C8H16N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyPAJMMWJDTTVBSJ-SSDOTTSWSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
Cyclo(alanyl-glycyl)
CID 107297
(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
CID 9942336
Cyclo(alanylalanyl)
CID 165356
N-isopropyl-1-piperazineacetamide
CID 100826
N-butyl-2-(3-oxopiperazin-2-yl)acetamide
CID 2955610
2,5-Diamino-1-piperidin-1-yl-pentan-1-one
CID 10081481
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
2,4-Diamino-1-piperidin-1-yl-butan-1-one
CID 24906298
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diethylpiperazin-2-one?
The IUPAC name of (3R)-1,3-diethylpiperazin-2-one (CID 96645682) is (3R)-1,3-diethylpiperazin-2-one.
What is the SMILES notation for (3R)-1,3-diethylpiperazin-2-one?
The canonical SMILES for (3R)-1,3-diethylpiperazin-2-one is CC[C@H]1NCCN(CC)C1=O.
What is the InChIKey of (3R)-1,3-diethylpiperazin-2-one?
The InChIKey is PAJMMWJDTTVBSJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1,3-diethylpiperazin-2-one?
(3R)-1,3-diethylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diethylpiperazin-2-one is sourced from PubChem (CID 96645682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).