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

C19H27N3O3 — CID 178017408

IUPAC3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione
SMILESCOc1cc(C2CCNCC2(C)C)ccc1NC1CCC(=O)NC1=O
InChIInChI=1S/C19H27N3O3/c1-19(2)11-20-9-8-13(19)12-4-5-14(16(10-12)25-3)21-15-6-7-17(23)22-18(15)24/h4-5,10,13,15,20-21H,6-9,11H2,1-3H3,(H,22,23,24)
InChIKeyIZGJVZHGPRYNCQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.02
Rot. Bonds4

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

3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione (PubChem CID 178017408) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione
PubChem CID178017408
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione
SMILESCOc1cc(C2CCNCC2(C)C)ccc1NC1CCC(=O)NC1=O
InChIInChI=1S/C19H27N3O3/c1-19(2)11-20-9-8-13(19)12-4-5-14(16(10-12)25-3)21-15-6-7-17(23)22-18(15)24/h4-5,10,13,15,20-21H,6-9,11H2,1-3H3,(H,22,23,24)
InChIKeyIZGJVZHGPRYNCQ-UHFFFAOYSA-N
XLogP2.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione (CID 178017408) is 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione is COc1cc(C2CCNCC2(C)C)ccc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione?
The InChIKey is IZGJVZHGPRYNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2)11-20-9-8-13(19)12-4-5-14(16(10-12)25-3)21-15-6-7-17(23)22-18(15)24/h4-5,10,13,15,20-21H,6-9,11H2,1-3H3,(H,22,23,24).
What are the key properties of 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione?
3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione has a molecular weight of 345.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione is sourced from PubChem (CID 178017408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).