N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C27H36N2O2 — CID 133228992

About N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133228992) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

• Compound Name: N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
• PubChem CID: 133228992
• Molecular Formula: C27H36N2O2
• Molecular Weight: 420.60 g/mol
• Exact Mass: 420.28
• IUPAC Name: N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
• SMILES: CC1CCCN(c2ccc(C(C)NC(=O)C(C)Oc3cccc4c3CCCC4)cc2)C1
• InChI: InChI=1S/C27H36N2O2/c1-19-8-7-17-29(18-19)24-15-13-22(14-16-24)20(2)28-27(30)21(3)31-26-12-6-10-23-9-4-5-11-25(23)26/h6,10,12-16,19-21H,4-5,7-9,11,17-18H2,1-3H3,(H,28,30)
• InChIKey: BUVYZHDFVFTAOP-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.60
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?

The IUPAC name of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133228992) is N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

What is the SMILES notation for N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?

The canonical SMILES for N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CC1CCCN(c2ccc(C(C)NC(=O)C(C)Oc3cccc4c3CCCC4)cc2)C1.

What is the InChIKey of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?

The InChIKey is BUVYZHDFVFTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-19-8-7-17-29(18-19)24-15-13-22(14-16-24)20(2)28-27(30)21(3)31-26-12-6-10-23-9-4-5-11-25(23)26/h6,10,12-16,19-21H,4-5,7-9,11,17-18H2,1-3H3,(H,28,30).

What are the key properties of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?

N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 420.60 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133228992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).