N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide

C24H27F3N4O3 — CID 139942256

IUPACN-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/CN(C(C)=O)c2cccc(OC3CCNCC3)c2C(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O3/c1-15(32)31(13-3-4-16-14-17(23(28)29)7-8-20(16)33)19-5-2-6-21(22(19)24(25,26)27)34-18-9-11-30-12-10-18/h2-8,14,18,30,33H,9-13H2,1H3,(H3,28,29)/b4-3+
InChIKeyYKMBONDKPOUXOA-ONEGZZNKSA-N
MW476.50 g/mol
LogP3.89
Rot. Bonds7

About N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide

N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 139942256) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide
PubChem CID139942256
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/CN(C(C)=O)c2cccc(OC3CCNCC3)c2C(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O3/c1-15(32)31(13-3-4-16-14-17(23(28)29)7-8-20(16)33)19-5-2-6-21(22(19)24(25,26)27)34-18-9-11-30-12-10-18/h2-8,14,18,30,33H,9-13H2,1H3,(H3,28,29)/b4-3+
InChIKeyYKMBONDKPOUXOA-ONEGZZNKSA-N
XLogP3.89
TPSA111.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-3-(1-ethanimidoylpiperidin-4-yl)oxy-2-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 139942355
N-[3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]acetamide
CID 139942286
4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide
CID 139942265
N-[(E)-3-[5-[N'-(1-ethanimidoylpiperidin-4-yl)carbamimidoyl]-2-hydroxyphenyl]prop-2-enyl]-N-[3-hydroxy-2-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 139942288
4-[3-(3-carbamimidoylphenyl)prop-2-enyl-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]phthalic acid
CID 73437141
ethyl 4-[N-[(E)-3-[5-[N'-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]carbamimidoyl]-2-hydroxyphenyl]prop-2-enyl]-3-hydroxy-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 139942383
5-[3-(3-carbamimidoylphenyl)prop-2-enylamino]-2-piperidin-4-yloxybenzoic acid
CID 70167650
ethyl 2-[(3-bromo-4-piperidin-4-yloxyphenyl)-[3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]acetate
CID 73450067
ethyl 2-[(3-bromo-4-piperidin-4-yloxyphenyl)-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]acetate
CID 18542703
4-[N-[3-(5-carbamimidoyl-2-hydroxyphenyl)-2-methylprop-2-enyl]-4-[1-(carboxymethyl)piperidin-4-yl]oxy-3-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 139942344
diethyl 4-[3-(3-carbamimidoylphenyl)prop-2-enyl-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzene-1,2-dicarboxylate
CID 139942371
3-[3-[[4-piperidin-4-yloxy-3-(trifluoromethyl)anilino]methyl]phenyl]benzenecarboximidamide
CID 18318152

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide (CID 139942256) is N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide is [H]/N=C(\N)c1ccc(O)c(/C=C/CN(C(C)=O)c2cccc(OC3CCNCC3)c2C(F)(F)F)c1.
What is the InChIKey of N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YKMBONDKPOUXOA-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-15(32)31(13-3-4-16-14-17(23(28)29)7-8-20(16)33)19-5-2-6-21(22(19)24(25,26)27)34-18-9-11-30-12-10-18/h2-8,14,18,30,33H,9-13H2,1H3,(H3,28,29)/b4-3+.
What are the key properties of N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide?
N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 476.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139942256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).