(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

C23H25F3N2O3 — CID 2444640

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1
InChIInChI=1S/C23H25F3N2O3/c1-30-18-8-10-21(31-2)16(14-18)6-11-22(29)27-19-15-17(23(24,25)26)7-9-20(19)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,27,29)/b11-6+
InChIKeyKLMWVHJGZVNICJ-IZZDOVSWSA-N
MW434.46 g/mol
LogP5.36
Rot. Bonds6

About (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2444640) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2444640
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1
InChIInChI=1S/C23H25F3N2O3/c1-30-18-8-10-21(31-2)16(14-18)6-11-22(29)27-19-15-17(23(24,25)26)7-9-20(19)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,27,29)/b11-6+
InChIKeyKLMWVHJGZVNICJ-IZZDOVSWSA-N
XLogP5.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 17274002
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
(E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7551849
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3569750
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
N-(2,4-dimethoxyphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 24615039
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 108804986
3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-hydroxybenzoic acid
CID 108753993
4-methoxy-3-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421624
2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7581490

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 2444640) is (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is KLMWVHJGZVNICJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-30-18-8-10-21(31-2)16(14-18)6-11-22(29)27-19-15-17(23(24,25)26)7-9-20(19)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,27,29)/b11-6+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 434.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2444640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).