N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide

C18H19F3N2OS — CID 134959602

IUPACN-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide
SMILESO=C(N(Cc1ccccc1)[C@@H]1CCCN[C@@H]1c1cccs1)C(F)(F)F
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)17(24)23(12-13-6-2-1-3-7-13)14-8-4-10-22-16(14)15-9-5-11-25-15/h1-3,5-7,9,11,14,16,22H,4,8,10,12H2/t14-,16+/m1/s1
InChIKeyXGKWXWWVYUWLNG-ZBFHGGJFSA-N
MW368.42 g/mol
LogP4.13
Rot. Bonds4

About N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide

N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide (PubChem CID 134959602) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide
PubChem CID134959602
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide
SMILESO=C(N(Cc1ccccc1)[C@@H]1CCCN[C@@H]1c1cccs1)C(F)(F)F
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)17(24)23(12-13-6-2-1-3-7-13)14-8-4-10-22-16(14)15-9-5-11-25-15/h1-3,5-7,9,11,14,16,22H,4,8,10,12H2/t14-,16+/m1/s1
InChIKeyXGKWXWWVYUWLNG-ZBFHGGJFSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-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 N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide (CID 134959602) is N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide is O=C(N(Cc1ccccc1)[C@@H]1CCCN[C@@H]1c1cccs1)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide?
The InChIKey is XGKWXWWVYUWLNG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c19-18(20,21)17(24)23(12-13-6-2-1-3-7-13)14-8-4-10-22-16(14)15-9-5-11-25-15/h1-3,5-7,9,11,14,16,22H,4,8,10,12H2/t14-,16+/m1/s1.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide has a molecular weight of 368.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 134959602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).