N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide

C36H33FN2O2 — CID 22340328

IUPACN-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCC(c6ccc(F)cc6)CC5)ccc4c3)cc2)cc1
InChIInChI=1S/C36H33FN2O2/c1-41-35-16-11-28(12-17-35)26-4-6-30(7-5-26)36(40)38-34-15-10-31-22-25(2-3-32(31)23-34)24-39-20-18-29(19-21-39)27-8-13-33(37)14-9-27/h2-17,22-23,29H,18-21,24H2,1H3,(H,38,40)
InChIKeyFBXJZOPYLZXOLU-UHFFFAOYSA-N
MW544.67 g/mol
LogP8.29
Rot. Bonds7

About N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide

N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide (PubChem CID 22340328) has the molecular formula C36H33FN2O2 and a molecular weight of 544.67 g/mol. Its IUPAC name is N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide
PubChem CID22340328
Molecular FormulaC36H33FN2O2
Molecular Weight544.67 g/mol
Exact Mass544.25
IUPAC NameN-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCC(c6ccc(F)cc6)CC5)ccc4c3)cc2)cc1
InChIInChI=1S/C36H33FN2O2/c1-41-35-16-11-28(12-17-35)26-4-6-30(7-5-26)36(40)38-34-15-10-31-22-25(2-3-32(31)23-34)24-39-20-18-29(19-21-39)27-8-13-33(37)14-9-27/h2-17,22-23,29H,18-21,24H2,1H3,(H,38,40)
InChIKeyFBXJZOPYLZXOLU-UHFFFAOYSA-N
XLogP8.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.67
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide?
The IUPAC name of N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide (CID 22340328) is N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide is COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCC(c6ccc(F)cc6)CC5)ccc4c3)cc2)cc1.
What is the InChIKey of N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide?
The InChIKey is FBXJZOPYLZXOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33FN2O2/c1-41-35-16-11-28(12-17-35)26-4-6-30(7-5-26)36(40)38-34-15-10-31-22-25(2-3-32(31)23-34)24-39-20-18-29(19-21-39)27-8-13-33(37)14-9-27/h2-17,22-23,29H,18-21,24H2,1H3,(H,38,40).
What are the key properties of N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide?
N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide has a molecular weight of 544.67 g/mol, XLogP of 8.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]-4-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 22340328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).