4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one

C15H17N3O2 — CID 64695940

IUPAC4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC(=O)c2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C15H17N3O2/c1-17-6-7-18(10-15(17)20)9-14(19)12-8-16-13-5-3-2-4-11(12)13/h2-5,8,16H,6-7,9-10H2,1H3
InChIKeyYYIOQTNWXAEXMW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.12
Rot. Bonds3

About 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one

4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one (PubChem CID 64695940) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
PubChem CID64695940
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC(=O)c2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C15H17N3O2/c1-17-6-7-18(10-15(17)20)9-14(19)12-8-16-13-5-3-2-4-11(12)13/h2-5,8,16H,6-7,9-10H2,1H3
InChIKeyYYIOQTNWXAEXMW-UHFFFAOYSA-N
XLogP1.12
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
CID 26304691
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(1H-indol-3-yl)ethanone
CID 63613529
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
CID 14192560
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
1-(1H-indol-3-yl)-2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethanone
CID 110659796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one (CID 64695940) is 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one is CN1CCN(CC(=O)c2c[nH]c3ccccc23)CC1=O.
What is the InChIKey of 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
The InChIKey is YYIOQTNWXAEXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-6-7-18(10-15(17)20)9-14(19)12-8-16-13-5-3-2-4-11(12)13/h2-5,8,16H,6-7,9-10H2,1H3.
What are the key properties of 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64695940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).