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

C16H18F2N2O3 — CID 167264507

IUPAC(3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2c(F)cc(N3CC[C@@H](CO)C3)cc2F)C(=O)N1
InChIInChI=1S/C16H18F2N2O3/c17-12-5-10(20-4-3-9(7-20)8-21)6-13(18)15(12)11-1-2-14(22)19-16(11)23/h5-6,9,11,21H,1-4,7-8H2,(H,19,22,23)/t9-,11-/m1/s1
InChIKeyMWJKFQNOTIMGAR-MWLCHTKSSA-N
MW324.33 g/mol
LogP1.30
Rot. Bonds3

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

(3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 167264507) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID167264507
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name(3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2c(F)cc(N3CC[C@@H](CO)C3)cc2F)C(=O)N1
InChIInChI=1S/C16H18F2N2O3/c17-12-5-10(20-4-3-9(7-20)8-21)6-13(18)15(12)11-1-2-14(22)19-16(11)23/h5-6,9,11,21H,1-4,7-8H2,(H,19,22,23)/t9-,11-/m1/s1
InChIKeyMWJKFQNOTIMGAR-MWLCHTKSSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
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 (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione (CID 167264507) is (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione is O=C1CC[C@H](c2c(F)cc(N3CC[C@@H](CO)C3)cc2F)C(=O)N1.
What is the InChIKey of (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is MWJKFQNOTIMGAR-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-12-5-10(20-4-3-9(7-20)8-21)6-13(18)15(12)11-1-2-14(22)19-16(11)23/h5-6,9,11,21H,1-4,7-8H2,(H,19,22,23)/t9-,11-/m1/s1.
What are the key properties of (3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
(3R)-3-[2,6-difluoro-4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 324.33 g/mol, XLogP of 1.30, 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-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 167264507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).