2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

C22H28F3N5O2S — CID 162435022

IUPAC2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4cccc(OC(F)(F)F)n4)s3)CC2)C1
InChIInChI=1S/C22H28F3N5O2S/c1-15-4-3-9-30(14-15)17-7-10-29(11-8-17)21-27-13-18(33-21)20(31)26-12-16-5-2-6-19(28-16)32-22(23,24)25/h2,5-6,13,15,17H,3-4,7-12,14H2,1H3,(H,26,31)/t15-/m1/s1
InChIKeyZLYXFPUJTQIMFP-OAHLLOKOSA-N
MW483.56 g/mol
LogP4.07
Rot. Bonds6

About 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 162435022) has the molecular formula C22H28F3N5O2S and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID162435022
Molecular FormulaC22H28F3N5O2S
Molecular Weight483.56 g/mol
Exact Mass483.19
IUPAC Name2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4cccc(OC(F)(F)F)n4)s3)CC2)C1
InChIInChI=1S/C22H28F3N5O2S/c1-15-4-3-9-30(14-15)17-7-10-29(11-8-17)21-27-13-18(33-21)20(31)26-12-16-5-2-6-19(28-16)32-22(23,24)25/h2,5-6,13,15,17H,3-4,7-12,14H2,1H3,(H,26,31)/t15-/m1/s1
InChIKeyZLYXFPUJTQIMFP-OAHLLOKOSA-N
XLogP4.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 164617361
US20240000767, Example 145
CID 156735090
US20240000767, Example 48
CID 156735052
US20240000767, Example 20
CID 156735110
US20240000767, Example 148
CID 156735223
US20240000767, Example 28
CID 162435005
2-[(6-pyridin-2-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 169101824
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[5-(6-methoxypyridin-2-yl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 130342044
US20240000767, Example 18
CID 156735111
US20240000767, Example 97
CID 156735120
N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377617
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377619

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (CID 162435022) is 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is C[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4cccc(OC(F)(F)F)n4)s3)CC2)C1.
What is the InChIKey of 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZLYXFPUJTQIMFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28F3N5O2S/c1-15-4-3-9-30(14-15)17-7-10-29(11-8-17)21-27-13-18(33-21)20(31)26-12-16-5-2-6-19(28-16)32-22(23,24)25/h2,5-6,13,15,17H,3-4,7-12,14H2,1H3,(H,26,31)/t15-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-N-[[6-(trifluoromethoxy)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162435022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).