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

C29H37N3O3 — CID 46190094

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

N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide (PubChem CID 46190094) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
• PubChem CID: 46190094
• Molecular Formula: C29H37N3O3
• Molecular Weight: 475.63 g/mol
• Exact Mass: 475.28
• IUPAC Name: N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
• SMILES: CCOc1ccc2ccccc2c1CN1CCC(Oc2ccc(CNC(=O)CC(C)C)cn2)CC1
• InChI: InChI=1S/C29H37N3O3/c1-4-34-27-11-10-23-7-5-6-8-25(23)26(27)20-32-15-13-24(14-16-32)35-29-12-9-22(19-31-29)18-30-28(33)17-21(2)3/h5-12,19,21,24H,4,13-18,20H2,1-3H3,(H,30,33)
• InChIKey: BBWAXOVUKQPCHA-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.63
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide (CID 46190094) is N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide.

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

The canonical SMILES for N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide is CCOc1ccc2ccccc2c1CN1CCC(Oc2ccc(CNC(=O)CC(C)C)cn2)CC1.

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

The InChIKey is BBWAXOVUKQPCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-4-34-27-11-10-23-7-5-6-8-25(23)26(27)20-32-15-13-24(14-16-32)35-29-12-9-22(19-31-29)18-30-28(33)17-21(2)3/h5-12,19,21,24H,4,13-18,20H2,1-3H3,(H,30,33).

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

N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide has a molecular weight of 475.63 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 46190094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).