3-(4-piperidin-3-ylanilino)piperidine-2,6-dione

C16H21N3O2 — CID 166117596

IUPAC3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(C3CCCNC3)cc2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-8-7-14(16(21)19-15)18-13-5-3-11(4-6-13)12-2-1-9-17-10-12/h3-6,12,14,17-18H,1-2,7-10H2,(H,19,20,21)
InChIKeyGMQNALAMHZWPQA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.37
Rot. Bonds3

About 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione

3-(4-piperidin-3-ylanilino)piperidine-2,6-dione (PubChem CID 166117596) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
PubChem CID166117596
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(C3CCCNC3)cc2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-8-7-14(16(21)19-15)18-13-5-3-11(4-6-13)12-2-1-9-17-10-12/h3-6,12,14,17-18H,1-2,7-10H2,(H,19,20,21)
InChIKeyGMQNALAMHZWPQA-UHFFFAOYSA-N
XLogP1.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
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 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione?
The IUPAC name of 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione (CID 166117596) is 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione is O=C1CCC(Nc2ccc(C3CCCNC3)cc2)C(=O)N1.
What is the InChIKey of 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione?
The InChIKey is GMQNALAMHZWPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-8-7-14(16(21)19-15)18-13-5-3-11(4-6-13)12-2-1-9-17-10-12/h3-6,12,14,17-18H,1-2,7-10H2,(H,19,20,21).
What are the key properties of 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione?
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-3-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 166117596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).