(2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate

C33H43F2N3O4 — CID 118874528

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc(/C(F)=C(\F)c3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cn3)cc2)CC(C)(C)N1
InChIInChI=1S/C33H43F2N3O4/c1-30(2)15-23(16-31(3,4)37-30)41-28(39)21-11-9-20(10-12-21)26(34)27(35)25-14-13-22(19-36-25)29(40)42-24-17-32(5,6)38-33(7,8)18-24/h9-14,19,23-24,37-38H,15-18H2,1-8H3/b27-26+
InChIKeySMPOGZLBRVTWNY-CYYJNZCTSA-N
MW583.72 g/mol
LogP6.78
Rot. Bonds6

About (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate

(2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate (PubChem CID 118874528) has the molecular formula C33H43F2N3O4 and a molecular weight of 583.72 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate
PubChem CID118874528
Molecular FormulaC33H43F2N3O4
Molecular Weight583.72 g/mol
Exact Mass583.32
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc(/C(F)=C(\F)c3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cn3)cc2)CC(C)(C)N1
InChIInChI=1S/C33H43F2N3O4/c1-30(2)15-23(16-31(3,4)37-30)41-28(39)21-11-9-20(10-12-21)26(34)27(35)25-14-13-22(19-36-25)29(40)42-24-17-32(5,6)38-33(7,8)18-24/h9-14,19,23-24,37-38H,15-18H2,1-8H3/b27-26+
InChIKeySMPOGZLBRVTWNY-CYYJNZCTSA-N
XLogP6.78
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.72
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate 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 (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate (CID 118874528) is (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate is CC1(C)CC(OC(=O)c2ccc(/C(F)=C(\F)c3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cn3)cc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate?
The InChIKey is SMPOGZLBRVTWNY-CYYJNZCTSA-N. The full InChI is InChI=1S/C33H43F2N3O4/c1-30(2)15-23(16-31(3,4)37-30)41-28(39)21-11-9-20(10-12-21)26(34)27(35)25-14-13-22(19-36-25)29(40)42-24-17-32(5,6)38-33(7,8)18-24/h9-14,19,23-24,37-38H,15-18H2,1-8H3/b27-26+.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate?
(2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate has a molecular weight of 583.72 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carboxylate is sourced from PubChem (CID 118874528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).