6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one

C14H18ClN3O — CID 22181640

IUPAC6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCNCC3)c(Cl)cc2N1
InChIInChI=1S/C14H18ClN3O/c15-12-9-13-11(8-14(19)17-13)7-10(12)1-4-18-5-2-16-3-6-18/h7,9,16H,1-6,8H2,(H,17,19)
InChIKeyLLNIWWGUWKFGLE-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.28
Rot. Bonds3

About 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one

6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one (PubChem CID 22181640) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
PubChem CID22181640
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCNCC3)c(Cl)cc2N1
InChIInChI=1S/C14H18ClN3O/c15-12-9-13-11(8-14(19)17-13)7-10(12)1-4-18-5-2-16-3-6-18/h7,9,16H,1-6,8H2,(H,17,19)
InChIKeyLLNIWWGUWKFGLE-UHFFFAOYSA-N
XLogP1.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Chloroethyl)-6-chlorooxindole
CID 10609474
3-{4-[4-(4-chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11524413
3-{4-[4-(4-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11589069
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11653869
3-{4-[4-(3-Chloro-4-fluorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24853955
3-{4-[4-(3-Chloro-4-methylphenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24854037
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24854041
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854273
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-5-fluoro-1H-indol-2-one
CID 11633354
3-[4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
CID 24854105
3-{3-[4-(3-chlorophenyl)-piperazin-1-yl]-propyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24854109
3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one
CID 24854111

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one (CID 22181640) is 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(CCN3CCNCC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
The InChIKey is LLNIWWGUWKFGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-12-9-13-11(8-14(19)17-13)7-10(12)1-4-18-5-2-16-3-6-18/h7,9,16H,1-6,8H2,(H,17,19).
What are the key properties of 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one has a molecular weight of 279.77 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 22181640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).