5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C25H27FN2O2 — CID 42850910

IUPAC5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H27FN2O2/c26-22-8-6-21(7-9-22)17-27-25(29)24-11-10-23(30-24)18-28-14-12-20(13-15-28)16-19-4-2-1-3-5-19/h1-11,20H,12-18H2,(H,27,29)
InChIKeyUXTMUZCEYQVXKS-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.80
Rot. Bonds7

About 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 42850910) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID42850910
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H27FN2O2/c26-22-8-6-21(7-9-22)17-27-25(29)24-11-10-23(30-24)18-28-14-12-20(13-15-28)16-19-4-2-1-3-5-19/h1-11,20H,12-18H2,(H,27,29)
InChIKeyUXTMUZCEYQVXKS-UHFFFAOYSA-N
XLogP4.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
CID 42850909
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
4-benzyl-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide
CID 17298095
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42858729
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
1-benzyl-3-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]urea
CID 11133428

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 42850910) is 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)o1.
What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is UXTMUZCEYQVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c26-22-8-6-21(7-9-22)17-27-25(29)24-11-10-23(30-24)18-28-14-12-20(13-15-28)16-19-4-2-1-3-5-19/h1-11,20H,12-18H2,(H,27,29).
What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 42850910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).