6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one

C21H23ClN4O2 — CID 58467626

IUPAC6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(NCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21
InChIInChI=1S/C21H23ClN4O2/c1-24-19-13-17(5-2-15(19)12-20(24)27)23-14-21(28)26-10-8-25(9-11-26)18-6-3-16(22)4-7-18/h2-7,13,23H,8-12,14H2,1H3
InChIKeyKKJCVYSCWSVTRH-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.62
Rot. Bonds4

About 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one

6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one (PubChem CID 58467626) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
PubChem CID58467626
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(NCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21
InChIInChI=1S/C21H23ClN4O2/c1-24-19-13-17(5-2-15(19)12-20(24)27)23-14-21(28)26-10-8-25(9-11-26)18-6-3-16(22)4-7-18/h2-7,13,23H,8-12,14H2,1H3
InChIKeyKKJCVYSCWSVTRH-UHFFFAOYSA-N
XLogP2.62
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one with MolForge

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Related Compounds

6-[[2-[(2R)-4-(4-chloro-3,5-difluorophenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467631
2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide
CID 58467530
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one
CID 53160576
2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002268
6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 58467795
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61470206
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
2-(4-fluoro-3-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 55117982
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
1-(4-chlorophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea
CID 1056376
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one (CID 58467626) is 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2ccc(NCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21.
What is the InChIKey of 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
The InChIKey is KKJCVYSCWSVTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-24-19-13-17(5-2-15(19)12-20(24)27)23-14-21(28)26-10-8-25(9-11-26)18-6-3-16(22)4-7-18/h2-7,13,23H,8-12,14H2,1H3.
What are the key properties of 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one has a molecular weight of 398.89 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 58467626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).