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

C21H24ClN3O — CID 9104271

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
InChIKeyUHEJJZNLPMHGJA-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.05
Rot. Bonds4

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

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 9104271) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID9104271
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
InChIKeyUHEJJZNLPMHGJA-UHFFFAOYSA-N
XLogP3.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 9104271) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is UHEJJZNLPMHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 369.90 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 9104271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).