N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide

C36H38N2O2 — CID 58495933

About N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide

N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 58495933) has the molecular formula C36H38N2O2 and a molecular weight of 530.71 g/mol. Its IUPAC name is N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide
• PubChem CID: 58495933
• Molecular Formula: C36H38N2O2
• Molecular Weight: 530.71 g/mol
• Exact Mass: 530.29
• IUPAC Name: N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide
• SMILES: CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(CC(=O)c3ccccc3-c3cccc(C)c3)cc2)CC1
• InChI: InChI=1S/C36H38N2O2/c1-3-37-36(40)35(28-11-5-4-6-12-28)29-20-22-38(23-21-29)31-18-16-27(17-19-31)25-34(39)33-15-8-7-14-32(33)30-13-9-10-26(2)24-30/h4-19,24,29,35H,3,20-23,25H2,1-2H3,(H,37,40)
• InChIKey: CSYWGNKQVHHIBF-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.71
LogP ≤ 5	7.22
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-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide?

The IUPAC name of N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide (CID 58495933) is N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide.

What is the SMILES notation for N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide?

The canonical SMILES for N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide is CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(CC(=O)c3ccccc3-c3cccc(C)c3)cc2)CC1.

What is the InChIKey of N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide?

The InChIKey is CSYWGNKQVHHIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O2/c1-3-37-36(40)35(28-11-5-4-6-12-28)29-20-22-38(23-21-29)31-18-16-27(17-19-31)25-34(39)33-15-8-7-14-32(33)30-13-9-10-26(2)24-30/h4-19,24,29,35H,3,20-23,25H2,1-2H3,(H,37,40).

What are the key properties of N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide?

N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 530.71 g/mol, XLogP of 7.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[1-[4-[2-[2-(3-methylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 58495933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).