N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide

C27H27FN2O3 — CID 55779298

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C27H27FN2O3/c28-25-9-5-4-6-20(25)14-17-29-26(31)21-15-18-30(19-16-21)27(32)22-10-12-24(13-11-22)33-23-7-2-1-3-8-23/h1-13,21H,14-19H2,(H,29,31)
InChIKeyLDTHLYUSIIIIRO-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.83
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide (PubChem CID 55779298) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
PubChem CID55779298
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C27H27FN2O3/c28-25-9-5-4-6-20(25)14-17-29-26(31)21-15-18-30(19-16-21)27(32)22-10-12-24(13-11-22)33-23-7-2-1-3-8-23/h1-13,21H,14-19H2,(H,29,31)
InChIKeyLDTHLYUSIIIIRO-UHFFFAOYSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
N-[2-(2-fluorophenyl)ethyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
CID 55779155
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 55782323
1-(4-anilino-3-nitrobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55848788
N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 75418635
1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47057526

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide (CID 55779298) is N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is LDTHLYUSIIIIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c28-25-9-5-4-6-20(25)14-17-29-26(31)21-15-18-30(19-16-21)27(32)22-10-12-24(13-11-22)33-23-7-2-1-3-8-23/h1-13,21H,14-19H2,(H,29,31).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55779298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).