1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione

C11H17N3O2 — CID 79504006

IUPAC1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2=NCCCC2)C1=O
InChIInChI=1S/C11H17N3O2/c1-14-10(15)6-5-8(11(14)16)13-9-4-2-3-7-12-9/h8H,2-7H2,1H3,(H,12,13)
InChIKeyBEWSDYIKBOHOEL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.31
Rot. Bonds1

About 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione

1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione (PubChem CID 79504006) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione
PubChem CID79504006
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2=NCCCC2)C1=O
InChIInChI=1S/C11H17N3O2/c1-14-10(15)6-5-8(11(14)16)13-9-4-2-3-7-12-9/h8H,2-7H2,1H3,(H,12,13)
InChIKeyBEWSDYIKBOHOEL-UHFFFAOYSA-N
XLogP0.31
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione (CID 79504006) is 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione is CN1C(=O)CCC(NC2=NCCCC2)C1=O.
What is the InChIKey of 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione?
The InChIKey is BEWSDYIKBOHOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-10(15)6-5-8(11(14)16)13-9-4-2-3-7-12-9/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione?
1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione has a molecular weight of 223.28 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 79504006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).