1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione

C13H23N3O3 — CID 104747986

IUPAC1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(N)C2CCOC2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-2-4-15-7-13(18)16(8-12(15)17)6-11(14)10-3-5-19-9-10/h10-11H,2-9,14H2,1H3
InChIKeyYUKDHQIOTSROLO-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.57
Rot. Bonds5

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

1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione (PubChem CID 104747986) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
PubChem CID104747986
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(N)C2CCOC2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-2-4-15-7-13(18)16(8-12(15)17)6-11(14)10-3-5-19-9-10/h10-11H,2-9,14H2,1H3
InChIKeyYUKDHQIOTSROLO-UHFFFAOYSA-N
XLogP-0.57
TPSA75.87 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 ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
CID 104747033
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione
CID 113449251
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 113448958
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
CID 104747969
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378
2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
CID 79936689
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513413
2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 104747758
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione (CID 104747986) is 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CC(N)C2CCOC2)CC1=O.
What is the InChIKey of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
The InChIKey is YUKDHQIOTSROLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-4-15-7-13(18)16(8-12(15)17)6-11(14)10-3-5-19-9-10/h10-11H,2-9,14H2,1H3.
What are the key properties of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione has a molecular weight of 269.34 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 104747986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).