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

C20H24ClN3O2S — CID 90617838

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

(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90617838) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 90617838
• Molecular Formula: C20H24ClN3O2S
• Molecular Weight: 405.95 g/mol
• Exact Mass: 405.13
• IUPAC Name: (3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1cccc(Cl)c1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
• InChI: InChI=1S/C20H24ClN3O2S/c21-16-3-1-2-15(14-16)19(25)24-9-4-17(5-10-24)23-11-6-18(7-12-23)26-20-22-8-13-27-20/h1-3,8,13-14,17-18H,4-7,9-12H2
• InChIKey: TXZSSMHDFBPUNA-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.95
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90617838) is (3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.

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

The InChIKey is TXZSSMHDFBPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c21-16-3-1-2-15(14-16)19(25)24-9-4-17(5-10-24)23-11-6-18(7-12-23)26-20-22-8-13-27-20/h1-3,8,13-14,17-18H,4-7,9-12H2.

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

(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 405.95 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90617838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).