3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one

C13H24N2O3 — CID 126819730

IUPAC3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(OC)C1CCOC1
InChIInChI=1S/C13H24N2O3/c1-3-11-13(16)14-5-6-15(11)8-12(17-2)10-4-7-18-9-10/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyAIEKOZFESKQKLV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.25
Rot. Bonds5

About 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one

3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one (PubChem CID 126819730) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one
PubChem CID126819730
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(OC)C1CCOC1
InChIInChI=1S/C13H24N2O3/c1-3-11-13(16)14-5-6-15(11)8-12(17-2)10-4-7-18-9-10/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyAIEKOZFESKQKLV-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
CID 63602606
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one
CID 104870196
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878893
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370
3-(1-methoxy-3-methylpentyl)oxolane
CID 177151433
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767
3-methoxy-3-(oxolan-3-yl)propan-1-amine
CID 115012480

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one (CID 126819730) is 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one is CCC1C(=O)NCCN1CC(OC)C1CCOC1.
What is the InChIKey of 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one?
The InChIKey is AIEKOZFESKQKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-11-13(16)14-5-6-15(11)8-12(17-2)10-4-7-18-9-10/h10-12H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one?
3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 126819730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).