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

C17H21F3N4OS — CID 49056863

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H21F3N4OS/c18-17(19,20)15-5-8-24(22-15)12-16(25)21-10-13-3-6-23(7-4-13)11-14-2-1-9-26-14/h1-2,5,8-9,13H,3-4,6-7,10-12H2,(H,21,25)
InChIKeyKWGQEEWUXZXIDQ-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.99
Rot. Bonds6

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

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 49056863) has the molecular formula C17H21F3N4OS and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID49056863
Molecular FormulaC17H21F3N4OS
Molecular Weight386.44 g/mol
Exact Mass386.14
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H21F3N4OS/c18-17(19,20)15-5-8-24(22-15)12-16(25)21-10-13-3-6-23(7-4-13)11-14-2-1-9-26-14/h1-2,5,8-9,13H,3-4,6-7,10-12H2,(H,21,25)
InChIKeyKWGQEEWUXZXIDQ-UHFFFAOYSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 49056126
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16896225
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530729
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
2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896261
2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056672

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 49056863) is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is KWGQEEWUXZXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4OS/c18-17(19,20)15-5-8-24(22-15)12-16(25)21-10-13-3-6-23(7-4-13)11-14-2-1-9-26-14/h1-2,5,8-9,13H,3-4,6-7,10-12H2,(H,21,25).
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 386.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 49056863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).