3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

C22H26ClN3O — CID 30743524

IUPAC3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H26ClN3O/c23-20-7-5-18(6-8-20)17-25-15-13-24(14-16-25)11-10-22(27)26-12-9-19-3-1-2-4-21(19)26/h1-8H,9-17H2
InChIKeyCOZFSYRFFSZJDT-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.44
Rot. Bonds5

About 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 30743524) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID30743524
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H26ClN3O/c23-20-7-5-18(6-8-20)17-25-15-13-24(14-16-25)11-10-22(27)26-12-9-19-3-1-2-4-21(19)26/h1-8H,9-17H2
InChIKeyCOZFSYRFFSZJDT-UHFFFAOYSA-N
XLogP3.44
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 30743524) is 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is O=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is COZFSYRFFSZJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c23-20-7-5-18(6-8-20)17-25-15-13-24(14-16-25)11-10-22(27)26-12-9-19-3-1-2-4-21(19)26/h1-8H,9-17H2.
What are the key properties of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 383.92 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 30743524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).