2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone

C22H22F4N2O — CID 91754478

IUPAC2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)N1CCCCC1
InChIInChI=1S/C22H22F4N2O/c23-20-10-14(5-7-19(20)22(24,25)26)17-12-27-13-18-15(4-6-16(17)18)11-21(29)28-8-2-1-3-9-28/h5,7,10,12-13,15H,1-4,6,8-9,11H2
InChIKeyWCMYKPGIJXFIBK-UHFFFAOYSA-N
MW406.42 g/mol
LogP5.34
Rot. Bonds3

About 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone

2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone (PubChem CID 91754478) has the molecular formula C22H22F4N2O and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone
PubChem CID91754478
Molecular FormulaC22H22F4N2O
Molecular Weight406.42 g/mol
Exact Mass406.17
IUPAC Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone
SMILESO=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)N1CCCCC1
InChIInChI=1S/C22H22F4N2O/c23-20-10-14(5-7-19(20)22(24,25)26)17-12-27-13-18-15(4-6-16(17)18)11-21(29)28-8-2-1-3-9-28/h5,7,10,12-13,15H,1-4,6,8-9,11H2
InChIKeyWCMYKPGIJXFIBK-UHFFFAOYSA-N
XLogP5.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 139953895
Sdm-8
CID 138106851
(4R,5R)-5-amino-1-[2-(pyridin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204466
(rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]-N,N-dimethyl-acetamide
CID 118024219
N-(3,4-difluorobenzyl)-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 16189140
3-Pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 24791509
(4S,5S)-5-(aminomethyl)-4-(2,5-difluorophenyl)-1-(2-pyridin-4-ylethyl)piperidin-2-one
CID 90654730
(4S,5S)-5-(aminomethyl)-1-(2-pyridin-4-ylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 90654735
(rac)-N-(4-(3-Fluoro-4-(trifluoromethyl)phenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)propionamide
CID 71811528
(rac)-N-(4-(2-Fluoro-4-(trifluoromethyl)phenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)propionamide
CID 71811609
(rac)-N-Cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methyl-acetamide
CID 118024214
(rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]-N-methyl-acetamide
CID 118024224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone (CID 91754478) is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone is O=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)N1CCCCC1.
What is the InChIKey of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone?
The InChIKey is WCMYKPGIJXFIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O/c23-20-10-14(5-7-19(20)22(24,25)26)17-12-27-13-18-15(4-6-16(17)18)11-21(29)28-8-2-1-3-9-28/h5,7,10,12-13,15H,1-4,6,8-9,11H2.
What are the key properties of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone?
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone has a molecular weight of 406.42 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 91754478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).