3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione

C19H26N2O2 — CID 166117144

IUPAC3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
SMILESCC(C)N1CCCC(c2ccc(C3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C19H26N2O2/c1-13(2)21-11-3-4-16(12-21)14-5-7-15(8-6-14)17-9-10-18(22)20-19(17)23/h5-8,13,16-17H,3-4,9-12H2,1-2H3,(H,20,22,23)
InChIKeyOAINEMKDXRDEJH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.79
Rot. Bonds3

About 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione

3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione (PubChem CID 166117144) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
PubChem CID166117144
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
SMILESCC(C)N1CCCC(c2ccc(C3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C19H26N2O2/c1-13(2)21-11-3-4-16(12-21)14-5-7-15(8-6-14)17-9-10-18(22)20-19(17)23/h5-8,13,16-17H,3-4,9-12H2,1-2H3,(H,20,22,23)
InChIKeyOAINEMKDXRDEJH-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione (CID 166117144) is 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione is CC(C)N1CCCC(c2ccc(C3CCC(=O)NC3=O)cc2)C1.
What is the InChIKey of 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione?
The InChIKey is OAINEMKDXRDEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)21-11-3-4-16(12-21)14-5-7-15(8-6-14)17-9-10-18(22)20-19(17)23/h5-8,13,16-17H,3-4,9-12H2,1-2H3,(H,20,22,23).
What are the key properties of 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione?
3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione has a molecular weight of 314.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 166117144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).