1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one

C24H37N3O2 — CID 58045670

About 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one

1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one (PubChem CID 58045670) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one
• PubChem CID: 58045670
• Molecular Formula: C24H37N3O2
• Molecular Weight: 399.58 g/mol
• Exact Mass: 399.29
• IUPAC Name: 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one
• SMILES: CCCC(=O)CC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
• InChI: InChI=1S/C24H37N3O2/c1-2-3-22(28)18-20-6-4-19(5-7-20)9-12-26-13-15-27(16-14-26)24-23-21(8-11-25-24)10-17-29-23/h8,11,19-20H,2-7,9-10,12-18H2,1H3
• InChIKey: XHQZQKZGMZMCMR-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.58
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one?

The IUPAC name of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one (CID 58045670) is 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one.

What is the SMILES notation for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one?

The canonical SMILES for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one is CCCC(=O)CC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1.

What is the InChIKey of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one?

The InChIKey is XHQZQKZGMZMCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-2-3-22(28)18-20-6-4-19(5-7-20)9-12-26-13-15-27(16-14-26)24-23-21(8-11-25-24)10-17-29-23/h8,11,19-20H,2-7,9-10,12-18H2,1H3.

What are the key properties of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one?

1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one has a molecular weight of 399.58 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one is sourced from PubChem (CID 58045670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).