1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione

C13H23N3O3 — CID 104747590

IUPAC1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione
SMILESCCNC(CN1CCN(C)C(=O)C1=O)C1CCOC1
InChIInChI=1S/C13H23N3O3/c1-3-14-11(10-4-7-19-9-10)8-16-6-5-15(2)12(17)13(16)18/h10-11,14H,3-9H2,1-2H3
InChIKeyZFBYORUCPFIQMP-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.70
Rot. Bonds5

About 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione

1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione (PubChem CID 104747590) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione
PubChem CID104747590
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione
SMILESCCNC(CN1CCN(C)C(=O)C1=O)C1CCOC1
InChIInChI=1S/C13H23N3O3/c1-3-14-11(10-4-7-19-9-10)8-16-6-5-15(2)12(17)13(16)18/h10-11,14H,3-9H2,1-2H3
InChIKeyZFBYORUCPFIQMP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 3-(oxolan-3-yl)piperazine-1-carboxylate
CID 165830974
1-[4-(2-Methoxyethyl)piperidino]-2-(methylamino)-1-ethanone
CID 53150919
1-[4-(Methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone
CID 91910480
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 45794860
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 45828935
2-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]-2-pyrrolidin-1-ylpropanamide
CID 125435942
2-[2-(oxolan-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113411968
N-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 52992931
2-[4-(2-methoxy-1-methylethyl)piperidin-1-yl]-N-methyl-2-oxoethanamine
CID 56881213
1-[4-(Methoxymethyl)-2,6-dimethylpiperidin-1-yl]-2-(methylamino)ethanone
CID 20641638
1-(Oxolan-3-ylmethyl)piperazin-2-one
CID 64566006
(S)-2-Amino-1-(3-methoxymethyl-piperidin-1-yl)-propan-1-one
CID 66564465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione (CID 104747590) is 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione is CCNC(CN1CCN(C)C(=O)C1=O)C1CCOC1.
What is the InChIKey of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione?
The InChIKey is ZFBYORUCPFIQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-14-11(10-4-7-19-9-10)8-16-6-5-15(2)12(17)13(16)18/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione?
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-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-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 104747590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).