2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide

C23H29F3N4OS — CID 60502123

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide
SMILESO=C(CN1CCc2sccc2C1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H29F3N4OS/c24-23(25,26)19-3-1-4-20(15-19)30-12-10-28(11-13-30)8-2-7-27-22(31)17-29-9-5-21-18(16-29)6-14-32-21/h1,3-4,6,14-15H,2,5,7-13,16-17H2,(H,27,31)
InChIKeyRZEVDZYOXFHJGI-UHFFFAOYSA-N
MW466.57 g/mol
LogP3.45
Rot. Bonds7

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide (PubChem CID 60502123) has the molecular formula C23H29F3N4OS and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide
PubChem CID60502123
Molecular FormulaC23H29F3N4OS
Molecular Weight466.57 g/mol
Exact Mass466.20
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide
SMILESO=C(CN1CCc2sccc2C1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H29F3N4OS/c24-23(25,26)19-3-1-4-20(15-19)30-12-10-28(11-13-30)8-2-7-27-22(31)17-29-9-5-21-18(16-29)6-14-32-21/h1,3-4,6,14-15H,2,5,7-13,16-17H2,(H,27,31)
InChIKeyRZEVDZYOXFHJGI-UHFFFAOYSA-N
XLogP3.45
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
CID 71942240
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
CID 60501653
tert-butyl N-[4-oxo-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]butyl]carbamate
CID 55683557
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 47055405
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234
1-(1,3-dihydroisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 11532392
2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
CID 110930670
1-phenyl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclohexane-1-carboxamide
CID 70554669
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide (CID 60502123) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide is O=C(CN1CCc2sccc2C1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide?
The InChIKey is RZEVDZYOXFHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4OS/c24-23(25,26)19-3-1-4-20(15-19)30-12-10-28(11-13-30)8-2-7-27-22(31)17-29-9-5-21-18(16-29)6-14-32-21/h1,3-4,6,14-15H,2,5,7-13,16-17H2,(H,27,31).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide has a molecular weight of 466.57 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 60502123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).