2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

C22H25N3O4 — CID 663674

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccco3)CC1)c(C)n2C
InChIInChI=1S/C22H25N3O4/c1-15-21(17-13-16(28-3)6-7-18(17)23(15)2)19(26)14-24-8-10-25(11-9-24)22(27)20-5-4-12-29-20/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyZOHVOLLBDYQIEO-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.73
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 663674) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID663674
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccco3)CC1)c(C)n2C
InChIInChI=1S/C22H25N3O4/c1-15-21(17-13-16(28-3)6-7-18(17)23(15)2)19(26)14-24-8-10-25(11-9-24)22(27)20-5-4-12-29-20/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyZOHVOLLBDYQIEO-UHFFFAOYSA-N
XLogP2.73
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 663674) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is COc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccco3)CC1)c(C)n2C.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is ZOHVOLLBDYQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-21(17-13-16(28-3)6-7-18(17)23(15)2)19(26)14-24-8-10-25(11-9-24)22(27)20-5-4-12-29-20/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 395.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 663674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).