N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide

C32H35FN2O2 — CID 18794666

About N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide

N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 18794666) has the molecular formula C32H35FN2O2 and a molecular weight of 498.64 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
• PubChem CID: 18794666
• Molecular Formula: C32H35FN2O2
• Molecular Weight: 498.64 g/mol
• Exact Mass: 498.27
• IUPAC Name: N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
• SMILES: O=C(NCCc1cccc(F)c1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O
• InChI: InChI=1S/C32H35FN2O2/c33-29-8-4-5-23(21-29)13-17-34-32(37)28-11-12-30-27(22-28)10-9-26(31(30)36)16-20-35-18-14-25(15-19-35)24-6-2-1-3-7-24/h1-8,11-12,21-22,25-26H,9-10,13-20H2,(H,34,37)
• InChIKey: AZUOFBBYMMYWJG-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.64
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?

The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 18794666) is N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide.

What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?

The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide is O=C(NCCc1cccc(F)c1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O.

What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?

The InChIKey is AZUOFBBYMMYWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN2O2/c33-29-8-4-5-23(21-29)13-17-34-32(37)28-11-12-30-27(22-28)10-9-26(31(30)36)16-20-35-18-14-25(15-19-35)24-6-2-1-3-7-24/h1-8,11-12,21-22,25-26H,9-10,13-20H2,(H,34,37).

What are the key properties of N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?

N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 498.64 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 18794666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).