5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one

C23H28F3N3O — CID 162645531

IUPAC5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CN2CCN(C3CCC(c4ccccc4C(F)(F)F)CC3)CC2)c[nH]1
InChIInChI=1S/C23H28F3N3O/c24-23(25,26)21-4-2-1-3-20(21)18-6-8-19(9-7-18)29-13-11-28(12-14-29)16-17-5-10-22(30)27-15-17/h1-5,10,15,18-19H,6-9,11-14,16H2,(H,27,30)
InChIKeyRURIRNJZIOAGFF-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.24
Rot. Bonds4

About 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one

5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 162645531) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID162645531
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CN2CCN(C3CCC(c4ccccc4C(F)(F)F)CC3)CC2)c[nH]1
InChIInChI=1S/C23H28F3N3O/c24-23(25,26)21-4-2-1-3-20(21)18-6-8-19(9-7-18)29-13-11-28(12-14-29)16-17-5-10-22(30)27-15-17/h1-5,10,15,18-19H,6-9,11-14,16H2,(H,27,30)
InChIKeyRURIRNJZIOAGFF-UHFFFAOYSA-N
XLogP4.24
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 155289395
5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
CID 155289396
(E)-3-(3,5-difluorophenyl)-N-(3-((4-(3,4-difluorophenyl)piperidin-1-yl)methyl)cyclopentyl)acrylamide
CID 44444114
N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6622193
(E)-N-(2-{4-[Methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-3-(2-methylphenyl)-2-propenamide
CID 16193538
(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide
CID 44524823
(E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525803
(E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525812
(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525815
(E)-3-(3,5-difluorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525816
(E)-3-(3,4-difluorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525858
5-[[4-(4-phenylcyclohexyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 162659556

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one (CID 162645531) is 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one is O=c1ccc(CN2CCN(C3CCC(c4ccccc4C(F)(F)F)CC3)CC2)c[nH]1.
What is the InChIKey of 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is RURIRNJZIOAGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c24-23(25,26)21-4-2-1-3-20(21)18-6-8-19(9-7-18)29-13-11-28(12-14-29)16-17-5-10-22(30)27-15-17/h1-5,10,15,18-19H,6-9,11-14,16H2,(H,27,30).
What are the key properties of 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 419.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 162645531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).