2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone

C20H20N2O3 — CID 650745

IUPAC2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(c1ccco1)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C20H20N2O3/c23-19(21-10-4-1-5-11-21)14-22-13-16(15-7-2-3-8-17(15)22)20(24)18-9-6-12-25-18/h2-3,6-9,12-13H,1,4-5,10-11,14H2
InChIKeyDBQOFPRJMXBRDJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.48
Rot. Bonds4

About 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone

2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 650745) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID650745
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(c1ccco1)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C20H20N2O3/c23-19(21-10-4-1-5-11-21)14-22-13-16(15-7-2-3-8-17(15)22)20(24)18-9-6-12-25-18/h2-3,6-9,12-13H,1,4-5,10-11,14H2
InChIKeyDBQOFPRJMXBRDJ-UHFFFAOYSA-N
XLogP3.48
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
furan-2-yl{1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methanone
CID 4127211
3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5d)
CID 118704633
3-(6-Fluoro-1-methyl-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5e)
CID 118704634
3-(furan-3-yl)-1-methyl-1H-indole
CID 44410800
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
[4-(3-Carbazol-9-yl-2-hydroxy-propyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 655901
N-(1-adamantyl)-2-[5-(furan-2-yl)-1-pentylindol-3-yl]-2-oxoacetamide
CID 60155101

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone (CID 650745) is 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone is O=C(c1ccco1)c1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is DBQOFPRJMXBRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(21-10-4-1-5-11-21)14-22-13-16(15-7-2-3-8-17(15)22)20(24)18-9-6-12-25-18/h2-3,6-9,12-13H,1,4-5,10-11,14H2.
What are the key properties of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone?
2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 336.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 650745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).