[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

C27H31N3O2S — CID 90617689

About [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90617689) has the molecular formula C27H31N3O2S and a molecular weight of 461.63 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 90617689
• Molecular Formula: C27H31N3O2S
• Molecular Weight: 461.63 g/mol
• Exact Mass: 461.21
• IUPAC Name: [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)cc2)cc1
• InChI: InChI=1S/C27H31N3O2S/c1-20-2-4-21(5-3-20)22-6-8-23(9-7-22)26(31)30-15-10-24(11-16-30)29-17-12-25(13-18-29)32-27-28-14-19-33-27/h2-9,14,19,24-25H,10-13,15-18H2,1H3
• InChIKey: HPDCYEVIUGMGEF-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90617689) is [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is Cc1ccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)cc2)cc1.

What is the InChIKey of [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?

The InChIKey is HPDCYEVIUGMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2S/c1-20-2-4-21(5-3-20)22-6-8-23(9-7-22)26(31)30-15-10-24(11-16-30)29-17-12-25(13-18-29)32-27-28-14-19-33-27/h2-9,14,19,24-25H,10-13,15-18H2,1H3.

What are the key properties of [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?

[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 461.63 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90617689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).