4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide

C23H26F3N3O2S — CID 52694766

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H26F3N3O2S/c24-23(25,26)17-4-5-19(28-10-2-1-3-11-28)18(14-17)27-21(30)6-7-22(31)29-12-8-20-16(15-29)9-13-32-20/h4-5,9,13-14H,1-3,6-8,10-12,15H2,(H,27,30)
InChIKeyBYNGETNBYYDMJM-UHFFFAOYSA-N
MW465.54 g/mol
LogP5.06
Rot. Bonds5

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 52694766) has the molecular formula C23H26F3N3O2S and a molecular weight of 465.54 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide
PubChem CID52694766
Molecular FormulaC23H26F3N3O2S
Molecular Weight465.54 g/mol
Exact Mass465.17
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H26F3N3O2S/c24-23(25,26)17-4-5-19(28-10-2-1-3-11-28)18(14-17)27-21(30)6-7-22(31)29-12-8-20-16(15-29)9-13-32-20/h4-5,9,13-14H,1-3,6-8,10-12,15H2,(H,27,30)
InChIKeyBYNGETNBYYDMJM-UHFFFAOYSA-N
XLogP5.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 55881940
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
2-[4-[2,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 25113918
4-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807138
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55882256
N-(4-bromo-2-methylphenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55876098
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 698325
N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55871998
[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 4-oxopentanoate
CID 9199101
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55872850
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide (CID 52694766) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide is O=C(CCC(=O)N1CCc2sccc2C1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BYNGETNBYYDMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2S/c24-23(25,26)17-4-5-19(28-10-2-1-3-11-28)18(14-17)27-21(30)6-7-22(31)29-12-8-20-16(15-29)9-13-32-20/h4-5,9,13-14H,1-3,6-8,10-12,15H2,(H,27,30).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 465.54 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 52694766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).