3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide

C24H27F3N4O3 — CID 135581677

IUPAC3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/CNc2ccc(OC3CCN(C(C)=O)CC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H27F3N4O3/c1-15(32)31-11-8-19(9-12-31)34-22-7-5-18(14-20(22)24(25,26)27)30-10-2-3-16-13-17(23(28)29)4-6-21(16)33/h2-7,13-14,19,30,33H,8-12H2,1H3,(H3,28,29)/b3-2+
InChIKeyURUZCAASSFQCEX-NSCUHMNNSA-N
MW476.50 g/mol
LogP4.21
Rot. Bonds7

About 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide

3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide (PubChem CID 135581677) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide
PubChem CID135581677
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/CNc2ccc(OC3CCN(C(C)=O)CC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H27F3N4O3/c1-15(32)31-11-8-19(9-12-31)34-22-7-5-18(14-20(22)24(25,26)27)30-10-2-3-16-13-17(23(28)29)4-6-21(16)33/h2-7,13-14,19,30,33H,8-12H2,1H3,(H3,28,29)/b3-2+
InChIKeyURUZCAASSFQCEX-NSCUHMNNSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide (CID 135581677) is 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(O)c(/C=C/CNc2ccc(OC3CCN(C(C)=O)CC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide?
The InChIKey is URUZCAASSFQCEX-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-15(32)31-11-8-19(9-12-31)34-22-7-5-18(14-20(22)24(25,26)27)30-10-2-3-16-13-17(23(28)29)4-6-21(16)33/h2-7,13-14,19,30,33H,8-12H2,1H3,(H3,28,29)/b3-2+.
What are the key properties of 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide?
3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide has a molecular weight of 476.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[4-(1-acetylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide is sourced from PubChem (CID 135581677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).