1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone

C27H34ClN3O2 — CID 58567306

About 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone

1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone (PubChem CID 58567306) has the molecular formula C27H34ClN3O2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone
• PubChem CID: 58567306
• Molecular Formula: C27H34ClN3O2
• Molecular Weight: 468.04 g/mol
• Exact Mass: 467.23
• IUPAC Name: 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone
• SMILES: O=C(CC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1
• InChI: InChI=1S/C27H34ClN3O2/c28-23-7-5-22(6-8-23)25(32)19-21-3-1-20(2-4-21)10-13-30-14-16-31(17-15-30)27-24-11-18-33-26(24)9-12-29-27/h5-9,12,20-21H,1-4,10-11,13-19H2
• InChIKey: MOSSPVTUKKLCEV-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.04
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone?

The IUPAC name of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone (CID 58567306) is 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone.

What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone?

The canonical SMILES for 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone is O=C(CC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone?

The InChIKey is MOSSPVTUKKLCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O2/c28-23-7-5-22(6-8-23)25(32)19-21-3-1-20(2-4-21)10-13-30-14-16-31(17-15-30)27-24-11-18-33-26(24)9-12-29-27/h5-9,12,20-21H,1-4,10-11,13-19H2.

What are the key properties of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone?

1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone has a molecular weight of 468.04 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone is sourced from PubChem (CID 58567306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).