N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C24H25FN2O3 — CID 26322313

IUPACN-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)o1
InChIInChI=1S/C24H25FN2O3/c1-17-6-9-21(29-17)16-27-14-12-18(13-15-27)24(28)26-19-7-10-20(11-8-19)30-23-5-3-2-4-22(23)25/h2-11,18H,12-16H2,1H3,(H,26,28)
InChIKeyJXUGOYMAFPHIOQ-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.37
Rot. Bonds6

About N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 26322313) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID26322313
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC NameN-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)o1
InChIInChI=1S/C24H25FN2O3/c1-17-6-9-21(29-17)16-27-14-12-18(13-15-27)24(28)26-19-7-10-20(11-8-19)30-23-5-3-2-4-22(23)25/h2-11,18H,12-16H2,1H3,(H,26,28)
InChIKeyJXUGOYMAFPHIOQ-UHFFFAOYSA-N
XLogP5.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42244589
1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42454778
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42120451
N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide
CID 133138136
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956838
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240238
N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956896
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 26322313) is N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)o1.
What is the InChIKey of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JXUGOYMAFPHIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-17-6-9-21(29-17)16-27-14-12-18(13-15-27)24(28)26-19-7-10-20(11-8-19)30-23-5-3-2-4-22(23)25/h2-11,18H,12-16H2,1H3,(H,26,28).
What are the key properties of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 26322313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).