N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide

C23H22FN3O2 — CID 24733734

IUPACN-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(Oc2cccc(-c3cccnc3)c2)CC1
InChIInChI=1S/C23H22FN3O2/c24-19-6-2-7-20(15-19)26-23(28)27-12-9-21(10-13-27)29-22-8-1-4-17(14-22)18-5-3-11-25-16-18/h1-8,11,14-16,21H,9-10,12-13H2,(H,26,28)
InChIKeyKUPYQSPRPQJUMX-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.96
Rot. Bonds4

About N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide

N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide (PubChem CID 24733734) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide
PubChem CID24733734
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(Oc2cccc(-c3cccnc3)c2)CC1
InChIInChI=1S/C23H22FN3O2/c24-19-6-2-7-20(15-19)26-23(28)27-12-9-21(10-13-27)29-22-8-1-4-17(14-22)18-5-3-11-25-16-18/h1-8,11,14-16,21H,9-10,12-13H2,(H,26,28)
InChIKeyKUPYQSPRPQJUMX-UHFFFAOYSA-N
XLogP4.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SB 228357
CID 443390
N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 25265637
1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
Rho-Kinase-IN-2
CID 155749520
4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 155749636
CT-2450
CID 9955864
1-[4-Methoxy-3-(pyrid-3-yl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10718089
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
Grc-6211
CID 138393987
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide (CID 24733734) is N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCC(Oc2cccc(-c3cccnc3)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
The InChIKey is KUPYQSPRPQJUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-19-6-2-7-20(15-19)26-23(28)27-12-9-21(10-13-27)29-22-8-1-4-17(14-22)18-5-3-11-25-16-18/h1-8,11,14-16,21H,9-10,12-13H2,(H,26,28).
What are the key properties of N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 24733734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).