(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

C24H27F3N2O4 — CID 44535406

IUPAC(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCCN2CCCCC2)c1
InChIInChI=1S/C24H27F3N2O4/c1-31-20-15-19(16-21(17-20)32-14-13-29-11-5-2-6-12-29)28-23(30)10-9-18-7-3-4-8-22(18)33-24(25,26)27/h3-4,7-10,15-17H,2,5-6,11-14H2,1H3,(H,28,30)/b10-9+
InChIKeyVMCGEFMEPCPIHE-MDZDMXLPSA-N
MW464.48 g/mol
LogP5.11
Rot. Bonds9

About (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 44535406) has the molecular formula C24H27F3N2O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID44535406
Molecular FormulaC24H27F3N2O4
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC Name(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCCN2CCCCC2)c1
InChIInChI=1S/C24H27F3N2O4/c1-31-20-15-19(16-21(17-20)32-14-13-29-11-5-2-6-12-29)28-23(30)10-9-18-7-3-4-8-22(18)33-24(25,26)27/h3-4,7-10,15-17H,2,5-6,11-14H2,1H3,(H,28,30)/b10-9+
InChIKeyVMCGEFMEPCPIHE-MDZDMXLPSA-N
XLogP5.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 46442777
(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55615883
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate
CID 131743232
(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 60555480
3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide
CID 55990563
3-(2-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4506725
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55748515
(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 67102748

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (CID 44535406) is (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCCN2CCCCC2)c1.
What is the InChIKey of (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is VMCGEFMEPCPIHE-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H27F3N2O4/c1-31-20-15-19(16-21(17-20)32-14-13-29-11-5-2-6-12-29)28-23(30)10-9-18-7-3-4-8-22(18)33-24(25,26)27/h3-4,7-10,15-17H,2,5-6,11-14H2,1H3,(H,28,30)/b10-9+.
What are the key properties of (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 464.48 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 44535406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).