2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C23H34F2N4O2 — CID 24794077

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H34F2N4O2/c1-22(2)12-16(13-23(3,4)27-22)28(5)19(30)11-18-21(31)26-9-10-29(18)14-15-7-6-8-17(24)20(15)25/h6-8,16,18,27H,9-14H2,1-5H3,(H,26,31)
InChIKeyYINPDZKFMCZVRJ-UHFFFAOYSA-N
MW436.55 g/mol
LogP2.42
Rot. Bonds5

About 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 24794077) has the molecular formula C23H34F2N4O2 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID24794077
Molecular FormulaC23H34F2N4O2
Molecular Weight436.55 g/mol
Exact Mass436.26
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H34F2N4O2/c1-22(2)12-16(13-23(3,4)27-22)28(5)19(30)11-18-21(31)26-9-10-29(18)14-15-7-6-8-17(24)20(15)25/h6-8,16,18,27H,9-14H2,1-5H3,(H,26,31)
InChIKeyYINPDZKFMCZVRJ-UHFFFAOYSA-N
XLogP2.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide 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-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 24794077) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CN(C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is YINPDZKFMCZVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2N4O2/c1-22(2)12-16(13-23(3,4)27-22)28(5)19(30)11-18-21(31)26-9-10-29(18)14-15-7-6-8-17(24)20(15)25/h6-8,16,18,27H,9-14H2,1-5H3,(H,26,31).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 436.55 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 24794077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).