N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide

C24H31Cl2N3O3 — CID 71213581

About N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide

N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide (PubChem CID 71213581) has the molecular formula C24H31Cl2N3O3 and a molecular weight of 480.44 g/mol. Its IUPAC name is N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide
• PubChem CID: 71213581
• Molecular Formula: C24H31Cl2N3O3
• Molecular Weight: 480.44 g/mol
• Exact Mass: 479.17
• IUPAC Name: N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide
• SMILES: CCC(=O)Nc1cc(Cl)c(O)cc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C24H31Cl2N3O3/c1-2-24(31)28-21-14-20(26)22(30)15-23(21)32-13-3-10-27-19-8-11-29(12-9-19)16-17-4-6-18(25)7-5-17/h4-7,14-15,19,27,30H,2-3,8-13,16H2,1H3,(H,28,31)
• InChIKey: RPEHYTSCHDHHBJ-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 73.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.44
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?

The IUPAC name of N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide (CID 71213581) is N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide.

What is the SMILES notation for N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?

The canonical SMILES for N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide is CCC(=O)Nc1cc(Cl)c(O)cc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1.

What is the InChIKey of N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?

The InChIKey is RPEHYTSCHDHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3O3/c1-2-24(31)28-21-14-20(26)22(30)15-23(21)32-13-3-10-27-19-8-11-29(12-9-19)16-17-4-6-18(25)7-5-17/h4-7,14-15,19,27,30H,2-3,8-13,16H2,1H3,(H,28,31).

What are the key properties of N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?

N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide has a molecular weight of 480.44 g/mol, XLogP of 5.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide is sourced from PubChem (CID 71213581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).