(3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione

C15H16F2N2O3 — CID 170185524

IUPAC(3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2c(F)cc(N3CC(CO)C3)cc2F)C(=O)N1
InChIInChI=1S/C15H16F2N2O3/c16-11-3-9(19-5-8(6-19)7-20)4-12(17)14(11)10-1-2-13(21)18-15(10)22/h3-4,8,10,20H,1-2,5-7H2,(H,18,21,22)/t10-/m1/s1
InChIKeyNNWGGPWDAGWZAT-SNVBAGLBSA-N
MW310.30 g/mol
LogP0.91
Rot. Bonds3

About (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione

(3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 170185524) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID170185524
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name(3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2c(F)cc(N3CC(CO)C3)cc2F)C(=O)N1
InChIInChI=1S/C15H16F2N2O3/c16-11-3-9(19-5-8(6-19)7-20)4-12(17)14(11)10-1-2-13(21)18-15(10)22/h3-4,8,10,20H,1-2,5-7H2,(H,18,21,22)/t10-/m1/s1
InChIKeyNNWGGPWDAGWZAT-SNVBAGLBSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]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 (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione (CID 170185524) is (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione is O=C1CC[C@H](c2c(F)cc(N3CC(CO)C3)cc2F)C(=O)N1.
What is the InChIKey of (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is NNWGGPWDAGWZAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c16-11-3-9(19-5-8(6-19)7-20)4-12(17)14(11)10-1-2-13(21)18-15(10)22/h3-4,8,10,20H,1-2,5-7H2,(H,18,21,22)/t10-/m1/s1.
What are the key properties of (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione?
(3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 310.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2,6-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170185524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).