3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione

C18H25N3O2 — CID 166117287

IUPAC3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCC1(C)CC(c2ccc(NC3CCC(=O)NC3=O)cc2)CCN1
InChIInChI=1S/C18H25N3O2/c1-18(2)11-13(9-10-19-18)12-3-5-14(6-4-12)20-15-7-8-16(22)21-17(15)23/h3-6,13,15,19-20H,7-11H2,1-2H3,(H,21,22,23)
InChIKeyYLPPNYGRHKLAEK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.15
Rot. Bonds3

About 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione

3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione (PubChem CID 166117287) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione
PubChem CID166117287
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCC1(C)CC(c2ccc(NC3CCC(=O)NC3=O)cc2)CCN1
InChIInChI=1S/C18H25N3O2/c1-18(2)11-13(9-10-19-18)12-3-5-14(6-4-12)20-15-7-8-16(22)21-17(15)23/h3-6,13,15,19-20H,7-11H2,1-2H3,(H,21,22,23)
InChIKeyYLPPNYGRHKLAEK-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.15
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-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione (CID 166117287) is 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione is CC1(C)CC(c2ccc(NC3CCC(=O)NC3=O)cc2)CCN1.
What is the InChIKey of 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The InChIKey is YLPPNYGRHKLAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2)11-13(9-10-19-18)12-3-5-14(6-4-12)20-15-7-8-16(22)21-17(15)23/h3-6,13,15,19-20H,7-11H2,1-2H3,(H,21,22,23).
What are the key properties of 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione?
3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione has a molecular weight of 315.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166117287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).