3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione

C13H21N3O4 — CID 66255618

IUPAC3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione
SMILESCCCNC1COCC1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C13H21N3O4/c1-3-4-14-10-7-20-6-9(10)13(19)16-5-11(17)15-12(18)8(16)2/h8-10,14H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyDHKYOGCCALLJFX-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.13
Rot. Bonds4

About 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione

3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione (PubChem CID 66255618) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione
PubChem CID66255618
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione
SMILESCCCNC1COCC1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C13H21N3O4/c1-3-4-14-10-7-20-6-9(10)13(19)16-5-11(17)15-12(18)8(16)2/h8-10,14H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyDHKYOGCCALLJFX-UHFFFAOYSA-N
XLogP-1.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione (CID 66255618) is 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione is CCCNC1COCC1C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione?
The InChIKey is DHKYOGCCALLJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-4-14-10-7-20-6-9(10)13(19)16-5-11(17)15-12(18)8(16)2/h8-10,14H,3-7H2,1-2H3,(H,15,17,18).
What are the key properties of 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione?
3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione has a molecular weight of 283.33 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 66255618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).