1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone

C27H29N3O3 — CID 56564350

About 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 56564350) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone
• PubChem CID: 56564350
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(N2CCN(C(=O)c3ccoc3CN3c4ccccc4CC3C)CC2)cc1
• InChI: InChI=1S/C27H29N3O3/c1-19-17-22-5-3-4-6-25(22)30(19)18-26-24(11-16-33-26)27(32)29-14-12-28(13-15-29)23-9-7-21(8-10-23)20(2)31/h3-11,16,19H,12-15,17-18H2,1-2H3
• InChIKey: RNISNLWQOAVJJE-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 57.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone?

The IUPAC name of 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 56564350) is 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone?

The canonical SMILES for 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccoc3CN3c4ccccc4CC3C)CC2)cc1.

What is the InChIKey of 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone?

The InChIKey is RNISNLWQOAVJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-17-22-5-3-4-6-25(22)30(19)18-26-24(11-16-33-26)27(32)29-14-12-28(13-15-29)23-9-7-21(8-10-23)20(2)31/h3-11,16,19H,12-15,17-18H2,1-2H3.

What are the key properties of 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone?

1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 443.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 56564350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).