5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one

C20H21N3O4 — CID 110801908

IUPAC5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C20H21N3O4/c1-21-16-5-4-14(11-15(16)13-18(21)24)12-19(25)22-6-8-23(9-7-22)20(26)17-3-2-10-27-17/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyIDJRPGBLNPYYMD-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.33
Rot. Bonds3

About 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one

5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one (PubChem CID 110801908) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
PubChem CID110801908
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C20H21N3O4/c1-21-16-5-4-14(11-15(16)13-18(21)24)12-19(25)22-6-8-23(9-7-22)20(26)17-3-2-10-27-17/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyIDJRPGBLNPYYMD-UHFFFAOYSA-N
XLogP1.33
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 110799888
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
CID 110788529
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 110801924
5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640960
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854688
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110807831
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one (CID 110801908) is 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21.
What is the InChIKey of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one?
The InChIKey is IDJRPGBLNPYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-21-16-5-4-14(11-15(16)13-18(21)24)12-19(25)22-6-8-23(9-7-22)20(26)17-3-2-10-27-17/h2-5,10-11H,6-9,12-13H2,1H3.
What are the key properties of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one?
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one has a molecular weight of 367.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 110801908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).