3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one

C23H28ClN3O — CID 24854109

IUPAC3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one
SMILESCCC1(CCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C23H28ClN3O/c1-2-23(20-9-3-4-10-21(20)25-22(23)28)11-6-12-26-13-15-27(16-14-26)19-8-5-7-18(24)17-19/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,25,28)
InChIKeyKRSDCIBISBBCBU-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.54
Rot. Bonds6

About 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one (PubChem CID 24854109) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one
PubChem CID24854109
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one
SMILESCCC1(CCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C23H28ClN3O/c1-2-23(20-9-3-4-10-21(20)25-22(23)28)11-6-12-26-13-15-27(16-14-26)19-8-5-7-18(24)17-19/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,25,28)
InChIKeyKRSDCIBISBBCBU-UHFFFAOYSA-N
XLogP4.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one?
The IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one (CID 24854109) is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one.
What is the SMILES notation for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one?
The canonical SMILES for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one is CCC1(CCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one?
The InChIKey is KRSDCIBISBBCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-2-23(20-9-3-4-10-21(20)25-22(23)28)11-6-12-26-13-15-27(16-14-26)19-8-5-7-18(24)17-19/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,25,28).
What are the key properties of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one?
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one has a molecular weight of 397.95 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-1H-indol-2-one is sourced from PubChem (CID 24854109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).