(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C21H20F3N3OS — CID 92899036

IUPAC(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C21H20F3N3OS/c22-21(23,24)16-5-3-14(4-6-16)12-26-20(28)15-2-1-10-27(13-15)19-17-8-11-29-18(17)7-9-25-19/h3-9,11,15H,1-2,10,12-13H2,(H,26,28)/t15-/m0/s1
InChIKeyUFLQCYNYHBRRIM-HNNXBMFYSA-N
MW419.47 g/mol
LogP4.85
Rot. Bonds4

About (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 92899036) has the molecular formula C21H20F3N3OS and a molecular weight of 419.47 g/mol. Its IUPAC name is (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID92899036
Molecular FormulaC21H20F3N3OS
Molecular Weight419.47 g/mol
Exact Mass419.13
IUPAC Name(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C21H20F3N3OS/c22-21(23,24)16-5-3-14(4-6-16)12-26-20(28)15-2-1-10-27(13-15)19-17-8-11-29-18(17)7-9-25-19/h3-9,11,15H,1-2,10,12-13H2,(H,26,28)/t15-/m0/s1
InChIKeyUFLQCYNYHBRRIM-HNNXBMFYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899035
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 50839572
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
(3R)-N-[(4-fluoro-1-benzothiophen-5-yl)methyl]-1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 165406633
N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555
(3R)-N-[(4-methylsulfanylphenyl)methyl]-1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 165406729
N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839609
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885146
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546
(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885123
(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92885044

Frequently Asked Questions

What is the IUPAC name of (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 92899036) is (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2nccc3sccc23)C1.
What is the InChIKey of (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is UFLQCYNYHBRRIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20F3N3OS/c22-21(23,24)16-5-3-14(4-6-16)12-26-20(28)15-2-1-10-27(13-15)19-17-8-11-29-18(17)7-9-25-19/h3-9,11,15H,1-2,10,12-13H2,(H,26,28)/t15-/m0/s1.
What are the key properties of (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92899036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).