N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide

C36H35N3O3 — CID 46190883

About N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide

N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide (PubChem CID 46190883) has the molecular formula C36H35N3O3 and a molecular weight of 557.69 g/mol. Its IUPAC name is N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide.

Molecular Properties

• Compound Name: N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
• PubChem CID: 46190883
• Molecular Formula: C36H35N3O3
• Molecular Weight: 557.69 g/mol
• Exact Mass: 557.27
• IUPAC Name: N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
• SMILES: COc1ccc2ccccc2c1CN1CCC(Oc2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cn2)CC1
• InChI: InChI=1S/C36H35N3O3/c1-41-34-17-16-29-9-5-6-10-32(29)33(34)25-39-21-19-31(20-22-39)42-35-18-11-26(23-37-35)24-38-36(40)30-14-12-28(13-15-30)27-7-3-2-4-8-27/h2-18,23,31H,19-22,24-25H2,1H3,(H,38,40)
• InChIKey: PBAAGWOUVGPWCX-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.69
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?

The IUPAC name of N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide (CID 46190883) is N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide.

What is the SMILES notation for N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?

The canonical SMILES for N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide is COc1ccc2ccccc2c1CN1CCC(Oc2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cn2)CC1.

What is the InChIKey of N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?

The InChIKey is PBAAGWOUVGPWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O3/c1-41-34-17-16-29-9-5-6-10-32(29)33(34)25-39-21-19-31(20-22-39)42-35-18-11-26(23-37-35)24-38-36(40)30-14-12-28(13-15-30)27-7-3-2-4-8-27/h2-18,23,31H,19-22,24-25H2,1H3,(H,38,40).

What are the key properties of N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?

N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide has a molecular weight of 557.69 g/mol, XLogP of 6.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 46190883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).