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

C19H21F3N2OS — CID 16896225

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)17-6-2-1-5-16(17)18(25)23-12-14-7-9-24(10-8-14)13-15-4-3-11-26-15/h1-6,11,14H,7-10,12-13H2,(H,23,25)
InChIKeyJQXSBNHBSGBXKI-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.41
Rot. Bonds5

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

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 16896225) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID16896225
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)17-6-2-1-5-16(17)18(25)23-12-14-7-9-24(10-8-14)13-15-4-3-11-26-15/h1-6,11,14H,7-10,12-13H2,(H,23,25)
InChIKeyJQXSBNHBSGBXKI-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 49056126
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86263573
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
2-amino-4-hydroxy-5-nitro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 99785377
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 49056863
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 49110751

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide (CID 16896225) is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1CCN(Cc2cccs2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is JQXSBNHBSGBXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c20-19(21,22)17-6-2-1-5-16(17)18(25)23-12-14-7-9-24(10-8-14)13-15-4-3-11-26-15/h1-6,11,14H,7-10,12-13H2,(H,23,25).
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).