N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C20H23F3N2O2S — CID 49056126

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H23F3N2O2S/c21-20(22,23)16-3-5-17(6-4-16)27-14-19(26)24-12-15-7-9-25(10-8-15)13-18-2-1-11-28-18/h1-6,11,15H,7-10,12-14H2,(H,24,26)
InChIKeyHAZFPVCPYMVQRD-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.17
Rot. Bonds7

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

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 49056126) has the molecular formula C20H23F3N2O2S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID49056126
Molecular FormulaC20H23F3N2O2S
Molecular Weight412.48 g/mol
Exact Mass412.14
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H23F3N2O2S/c21-20(22,23)16-3-5-17(6-4-16)27-14-19(26)24-12-15-7-9-25(10-8-15)13-18-2-1-11-28-18/h1-6,11,15H,7-10,12-14H2,(H,24,26)
InChIKeyHAZFPVCPYMVQRD-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056925
2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 47086830
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 49056863
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16896225
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 49056126) is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is HAZFPVCPYMVQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2S/c21-20(22,23)16-3-5-17(6-4-16)27-14-19(26)24-12-15-7-9-25(10-8-15)13-18-2-1-11-28-18/h1-6,11,15H,7-10,12-14H2,(H,24,26).
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 412.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 49056126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).