1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one

C26H39N3O3 — CID 58567338

About 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one

1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one (PubChem CID 58567338) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one
• PubChem CID: 58567338
• Molecular Formula: C26H39N3O3
• Molecular Weight: 441.62 g/mol
• Exact Mass: 441.30
• IUPAC Name: 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one
• SMILES: O=C(CC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)CC1CCCO1
• InChI: InChI=1S/C26H39N3O3/c30-22(19-23-2-1-16-31-23)18-21-5-3-20(4-6-21)8-11-28-12-14-29(15-13-28)26-24-9-17-32-25(24)7-10-27-26/h7,10,20-21,23H,1-6,8-9,11-19H2
• InChIKey: KGFSBINSCSBWMQ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.62
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one (CID 58567338) is 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one.

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

The canonical SMILES for 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one is O=C(CC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)CC1CCCO1.

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

The InChIKey is KGFSBINSCSBWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c30-22(19-23-2-1-16-31-23)18-21-5-3-20(4-6-21)8-11-28-12-14-29(15-13-28)26-24-9-17-32-25(24)7-10-27-26/h7,10,20-21,23H,1-6,8-9,11-19H2.

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

1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one has a molecular weight of 441.62 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one is sourced from PubChem (CID 58567338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).