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

C24H33N3O4S — CID 90617839

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

(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90617839) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 90617839
• Molecular Formula: C24H33N3O4S
• Molecular Weight: 459.61 g/mol
• Exact Mass: 459.22
• IUPAC Name: (3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
• SMILES: CCOc1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1OCC
• InChI: InChI=1S/C24H33N3O4S/c1-3-29-21-6-5-18(17-22(21)30-4-2)23(28)27-12-7-19(8-13-27)26-14-9-20(10-15-26)31-24-25-11-16-32-24/h5-6,11,16-17,19-20H,3-4,7-10,12-15H2,1-2H3
• InChIKey: ZKJKKLWEUWMGPO-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.61
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90617839) is (3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1OCC.

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

The InChIKey is ZKJKKLWEUWMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-3-29-21-6-5-18(17-22(21)30-4-2)23(28)27-12-7-19(8-13-27)26-14-9-20(10-15-26)31-24-25-11-16-32-24/h5-6,11,16-17,19-20H,3-4,7-10,12-15H2,1-2H3.

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

(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 459.61 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90617839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).