1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one

C18H23N3O3 — CID 110799888

IUPAC1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
SMILESCCC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C18H23N3O3/c1-3-16(22)20-6-8-21(9-7-20)18(24)11-13-4-5-15-14(10-13)12-17(23)19(15)2/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyPKKRYDZPTHGGAA-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.83
Rot. Bonds3

About 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one

1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one (PubChem CID 110799888) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
PubChem CID110799888
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
SMILESCCC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C18H23N3O3/c1-3-16(22)20-6-8-21(9-7-20)18(24)11-13-4-5-15-14(10-13)12-17(23)19(15)2/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyPKKRYDZPTHGGAA-UHFFFAOYSA-N
XLogP0.83
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768313
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110801908
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
4-methyl-6-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 110805909
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
1-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799856
4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 110770394
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one (CID 110799888) is 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one is CCC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3C)CC1.
What is the InChIKey of 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one?
The InChIKey is PKKRYDZPTHGGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-16(22)20-6-8-21(9-7-20)18(24)11-13-4-5-15-14(10-13)12-17(23)19(15)2/h4-5,10H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one?
1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one has a molecular weight of 329.40 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one is sourced from PubChem (CID 110799888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).