2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide

C28H38ClN3O2 — CID 10458014

About 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide

2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide (PubChem CID 10458014) has the molecular formula C28H38ClN3O2 and a molecular weight of 484.08 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide
• PubChem CID: 10458014
• Molecular Formula: C28H38ClN3O2
• Molecular Weight: 484.08 g/mol
• Exact Mass: 483.27
• IUPAC Name: 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide
• SMILES: CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C(C)(C)c3ccc(Cl)cc3)CC2)c1
• InChI: InChI=1S/C28H38ClN3O2/c1-20(2)26(33)31-25-8-5-7-22(19-25)21-13-17-32(18-14-21)16-6-15-30-27(34)28(3,4)23-9-11-24(29)12-10-23/h5,7-12,19-21H,6,13-18H2,1-4H3,(H,30,34)(H,31,33)
• InChIKey: RDWOBOZVCKVJQR-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.08
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide?

The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide (CID 10458014) is 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide.

What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide?

The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C(C)(C)c3ccc(Cl)cc3)CC2)c1.

What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide?

The InChIKey is RDWOBOZVCKVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN3O2/c1-20(2)26(33)31-25-8-5-7-22(19-25)21-13-17-32(18-14-21)16-6-15-30-27(34)28(3,4)23-9-11-24(29)12-10-23/h5,7-12,19-21H,6,13-18H2,1-4H3,(H,30,34)(H,31,33).

What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide?

2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide has a molecular weight of 484.08 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 10458014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).