N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide

C20H23F3N2OS — CID 134804949

IUPACN-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(Cc2cc(-c3cccc(C(F)(F)F)c3)cs2)C1
InChIInChI=1S/C20H23F3N2OS/c1-14(26)24-19(2)7-4-8-25(13-19)11-18-10-16(12-27-18)15-5-3-6-17(9-15)20(21,22)23/h3,5-6,9-10,12H,4,7-8,11,13H2,1-2H3,(H,24,26)
InChIKeyMCWVMGSRPMAUSO-UHFFFAOYSA-N
MW396.48 g/mol
LogP4.92
Rot. Bonds4

About N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide

N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide (PubChem CID 134804949) has the molecular formula C20H23F3N2OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide
PubChem CID134804949
Molecular FormulaC20H23F3N2OS
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC NameN-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(Cc2cc(-c3cccc(C(F)(F)F)c3)cs2)C1
InChIInChI=1S/C20H23F3N2OS/c1-14(26)24-19(2)7-4-8-25(13-19)11-18-10-16(12-27-18)15-5-3-6-17(9-15)20(21,22)23/h3,5-6,9-10,12H,4,7-8,11,13H2,1-2H3,(H,24,26)
InChIKeyMCWVMGSRPMAUSO-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide (CID 134804949) is N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide is CC(=O)NC1(C)CCCN(Cc2cc(-c3cccc(C(F)(F)F)c3)cs2)C1.
What is the InChIKey of N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide?
The InChIKey is MCWVMGSRPMAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2OS/c1-14(26)24-19(2)7-4-8-25(13-19)11-18-10-16(12-27-18)15-5-3-6-17(9-15)20(21,22)23/h3,5-6,9-10,12H,4,7-8,11,13H2,1-2H3,(H,24,26).
What are the key properties of N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide?
N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide has a molecular weight of 396.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 134804949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).