N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

C24H23FN4O2 — CID 55855989

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C24H23FN4O2/c25-21-16-20(7-8-22(21)29-15-12-26-17-29)27-24(31)19-10-13-28(14-11-19)23(30)9-6-18-4-2-1-3-5-18/h1-9,12,15-17,19H,10-11,13-14H2,(H,27,31)
InChIKeyXNFMNBOYDJZRJV-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.90
Rot. Bonds5

About N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (PubChem CID 55855989) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
PubChem CID55855989
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C24H23FN4O2/c25-21-16-20(7-8-22(21)29-15-12-26-17-29)27-24(31)19-10-13-28(14-11-19)23(30)9-6-18-4-2-1-3-5-18/h1-9,12,15-17,19H,10-11,13-14H2,(H,27,31)
InChIKeyXNFMNBOYDJZRJV-UHFFFAOYSA-N
XLogP3.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.90
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

1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 47059867
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
1-[(E)-3-phenylprop-2-enoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46693006
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55955657
3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 119860256
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
1-[(E)-3-phenylprop-2-enoyl]-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-4-carboxamide
CID 43064665
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55497099
N-[4-(methylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26715414
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (CID 55855989) is N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCN(C(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The InChIKey is XNFMNBOYDJZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-21-16-20(7-8-22(21)29-15-12-26-17-29)27-24(31)19-10-13-28(14-11-19)23(30)9-6-18-4-2-1-3-5-18/h1-9,12,15-17,19H,10-11,13-14H2,(H,27,31).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55855989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).