1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C19H20F3NOS — CID 71807062

IUPAC1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C19H20F3NOS/c20-19(21,22)16-6-3-14(4-7-16)5-8-18(24)23-11-9-15(10-12-23)17-2-1-13-25-17/h1-4,6-7,13,15H,5,8-12H2
InChIKeyDBJXGRFIVALFGG-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.11
Rot. Bonds4

About 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 71807062) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID71807062
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C19H20F3NOS/c20-19(21,22)16-6-3-14(4-7-16)5-8-18(24)23-11-9-15(10-12-23)17-2-1-13-25-17/h1-4,6-7,13,15H,5,8-12H2
InChIKeyDBJXGRFIVALFGG-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697378
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 57325845
(4R,5R)-5-(Fluoro-thiophen-2-yl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398130
3-phenyl-N-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)propanamide
CID 49669353
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 134798152
1-Pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one
CID 155513706
1-Thiophen-2-yl-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butane-1,4-dione
CID 71523532
4-Thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 89525771
1-[7-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 44210519
3-Phenyl-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one
CID 64921

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 71807062) is 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(c2cccs2)CC1.
What is the InChIKey of 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is DBJXGRFIVALFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c20-19(21,22)16-6-3-14(4-7-16)5-8-18(24)23-11-9-15(10-12-23)17-2-1-13-25-17/h1-4,6-7,13,15H,5,8-12H2.
What are the key properties of 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 367.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 71807062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).