(3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione

C17H22N2O2 — CID 170737771

IUPAC(3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione
SMILESC[C@]1(c2ccc(C3CCNCC3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C17H22N2O2/c1-17(9-6-15(20)19-16(17)21)14-4-2-12(3-5-14)13-7-10-18-11-8-13/h2-5,13,18H,6-11H2,1H3,(H,19,20,21)/t17-/m1/s1
InChIKeyOQVURFJFOKXASK-QGZVFWFLSA-N
MW286.37 g/mol
LogP1.85
Rot. Bonds2

About (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione

(3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione (PubChem CID 170737771) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione
PubChem CID170737771
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione
SMILESC[C@]1(c2ccc(C3CCNCC3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C17H22N2O2/c1-17(9-6-15(20)19-16(17)21)14-4-2-12(3-5-14)13-7-10-18-11-8-13/h2-5,13,18H,6-11H2,1H3,(H,19,20,21)/t17-/m1/s1
InChIKeyOQVURFJFOKXASK-QGZVFWFLSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione (CID 170737771) is (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione is C[C@]1(c2ccc(C3CCNCC3)cc2)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione?
The InChIKey is OQVURFJFOKXASK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(9-6-15(20)19-16(17)21)14-4-2-12(3-5-14)13-7-10-18-11-8-13/h2-5,13,18H,6-11H2,1H3,(H,19,20,21)/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione?
(3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione has a molecular weight of 286.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 170737771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).