3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione

C16H21N3O2 — CID 106820358

IUPAC3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2CCN(c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-7-6-14(16(21)18-15)17-12-8-10-19(11-9-12)13-4-2-1-3-5-13/h1-5,12,14,17H,6-11H2,(H,18,20,21)
InChIKeyGXSGQMKSEQXLQP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.05
Rot. Bonds3

About 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione

3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione (PubChem CID 106820358) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
PubChem CID106820358
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2CCN(c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-7-6-14(16(21)18-15)17-12-8-10-19(11-9-12)13-4-2-1-3-5-13/h1-5,12,14,17H,6-11H2,(H,18,20,21)
InChIKeyGXSGQMKSEQXLQP-UHFFFAOYSA-N
XLogP1.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106821036
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
CID 166117554
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
CID 80562122
3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
CID 168896759
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
CID 168735312
N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine
CID 128860995

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione (CID 106820358) is 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione is O=C1CCC(NC2CCN(c3ccccc3)CC2)C(=O)N1.
What is the InChIKey of 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione?
The InChIKey is GXSGQMKSEQXLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-7-6-14(16(21)18-15)17-12-8-10-19(11-9-12)13-4-2-1-3-5-13/h1-5,12,14,17H,6-11H2,(H,18,20,21).
What are the key properties of 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione?
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 106820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).