(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

C28H33F3N2O — CID 44525811

IUPAC(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)/C=C/c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C28H33F3N2O/c1-20-6-2-4-8-25(20)21-16-18-33(19-17-21)24-13-11-23(12-14-24)32-27(34)15-10-22-7-3-5-9-26(22)28(29,30)31/h2-10,15,21,23-24H,11-14,16-19H2,1H3,(H,32,34)/b15-10+
InChIKeyRXNLDPZTFDBGGJ-XNTDXEJSSA-N
MW470.58 g/mol
LogP6.33
Rot. Bonds5

About (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 44525811) has the molecular formula C28H33F3N2O and a molecular weight of 470.58 g/mol. Its IUPAC name is (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID44525811
Molecular FormulaC28H33F3N2O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)/C=C/c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C28H33F3N2O/c1-20-6-2-4-8-25(20)21-16-18-33(19-17-21)24-13-11-23(12-14-24)32-27(34)15-10-22-7-3-5-9-26(22)28(29,30)31/h2-10,15,21,23-24H,11-14,16-19H2,1H3,(H,32,34)/b15-10+
InChIKeyRXNLDPZTFDBGGJ-XNTDXEJSSA-N
XLogP6.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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
N-[4-(4-diphenylmethylpiperazin-1-yl)butyl]cinnamide
CID 13767784
(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-(3-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525802
(E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525803
(E)-3-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525809
(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 44525811) is (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C/c3ccccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is RXNLDPZTFDBGGJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C28H33F3N2O/c1-20-6-2-4-8-25(20)21-16-18-33(19-17-21)24-13-11-23(12-14-24)32-27(34)15-10-22-7-3-5-9-26(22)28(29,30)31/h2-10,15,21,23-24H,11-14,16-19H2,1H3,(H,32,34)/b15-10+.
What are the key properties of (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 470.58 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 44525811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).