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

C36H33FN2O2 — CID 22340414

IUPAC4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide
SMILESCOc1ccc(C2CCN(Cc3ccc4cc(NC(=O)c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)CC2)cc1
InChIInChI=1S/C36H33FN2O2/c1-41-35-16-11-28(12-17-35)29-18-20-39(21-19-29)24-25-2-3-32-23-34(15-10-31(32)22-25)38-36(40)30-6-4-26(5-7-30)27-8-13-33(37)14-9-27/h2-17,22-23,29H,18-21,24H2,1H3,(H,38,40)
InChIKeyGAPLEHABVQKUMT-UHFFFAOYSA-N
MW544.67 g/mol
LogP8.29
Rot. Bonds7

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

4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide (PubChem CID 22340414) has the molecular formula C36H33FN2O2 and a molecular weight of 544.67 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide
PubChem CID22340414
Molecular FormulaC36H33FN2O2
Molecular Weight544.67 g/mol
Exact Mass544.25
IUPAC Name4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide
SMILESCOc1ccc(C2CCN(Cc3ccc4cc(NC(=O)c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)CC2)cc1
InChIInChI=1S/C36H33FN2O2/c1-41-35-16-11-28(12-17-35)29-18-20-39(21-19-29)24-25-2-3-32-23-34(15-10-31(32)22-25)38-36(40)30-6-4-26(5-7-30)27-8-13-33(37)14-9-27/h2-17,22-23,29H,18-21,24H2,1H3,(H,38,40)
InChIKeyGAPLEHABVQKUMT-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 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide (CID 22340414) is 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide is COc1ccc(C2CCN(Cc3ccc4cc(NC(=O)c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide?
The InChIKey is GAPLEHABVQKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33FN2O2/c1-41-35-16-11-28(12-17-35)29-18-20-39(21-19-29)24-25-2-3-32-23-34(15-10-31(32)22-25)38-36(40)30-6-4-26(5-7-30)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 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide?
4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]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 4-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]benzamide is sourced from PubChem (CID 22340414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).