1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione

C13H23N3O3 — CID 104747969

IUPAC1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(NC)C2CCOC2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-3-15-7-13(18)16(8-12(15)17)6-11(14-2)10-4-5-19-9-10/h10-11,14H,3-9H2,1-2H3
InChIKeyWMTQISHLTCDJFJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.70
Rot. Bonds5

About 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione

1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione (PubChem CID 104747969) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
PubChem CID104747969
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(NC)C2CCOC2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-3-15-7-13(18)16(8-12(15)17)6-11(14-2)10-4-5-19-9-10/h10-11,14H,3-9H2,1-2H3
InChIKeyWMTQISHLTCDJFJ-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propan-2-ylazepan-2-one
CID 104747789
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one
CID 104747771
1-[2-cyclopropyl-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
CID 79936382
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104748173
1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 104747986
2-(3-ethylmorpholin-4-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448072
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one
CID 113448456
2-(2,3-dihydroindol-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113447953
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione
CID 113449251
5-methyl-1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-2-one
CID 104747676
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 104746479

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione (CID 104747969) is 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione is CCN1CC(=O)N(CC(NC)C2CCOC2)CC1=O.
What is the InChIKey of 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione?
The InChIKey is WMTQISHLTCDJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-15-7-13(18)16(8-12(15)17)6-11(14-2)10-4-5-19-9-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione?
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione has a molecular weight of 269.34 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 104747969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).