1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C26H26FN3O2 — CID 24818902

IUPAC1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C26H26FN3O2/c27-22-13-11-20(12-14-22)6-4-16-30-17-5-7-21(19-30)26(31)29-24-9-1-2-10-25(24)32-23-8-3-15-28-18-23/h1-4,6,8-15,18,21H,5,7,16-17,19H2,(H,29,31)/b6-4+
InChIKeyJMCDKRUGWXELCN-GQCTYLIASA-N
MW431.51 g/mol
LogP5.38
Rot. Bonds7

About 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 24818902) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID24818902
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C26H26FN3O2/c27-22-13-11-20(12-14-22)6-4-16-30-17-5-7-21(19-30)26(31)29-24-9-1-2-10-25(24)32-23-8-3-15-28-18-23/h1-4,6,8-15,18,21H,5,7,16-17,19H2,(H,29,31)/b6-4+
InChIKeyJMCDKRUGWXELCN-GQCTYLIASA-N
XLogP5.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 24818902) is 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C/C=C/c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is JMCDKRUGWXELCN-GQCTYLIASA-N. The full InChI is InChI=1S/C26H26FN3O2/c27-22-13-11-20(12-14-22)6-4-16-30-17-5-7-21(19-30)26(31)29-24-9-1-2-10-25(24)32-23-8-3-15-28-18-23/h1-4,6,8-15,18,21H,5,7,16-17,19H2,(H,29,31)/b6-4+.
What are the key properties of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24818902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).