2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone

C21H24ClN3O — CID 120848011

IUPAC2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C21H24ClN3O/c22-19-7-2-1-4-17(19)14-20(26)25-12-10-24(11-13-25)15-18-6-3-5-16-8-9-23-21(16)18/h1-7,23H,8-15H2
InChIKeySJPHSCHSDXYGDB-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 120848011) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
PubChem CID120848011
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C21H24ClN3O/c22-19-7-2-1-4-17(19)14-20(26)25-12-10-24(11-13-25)15-18-6-3-5-16-8-9-23-21(16)18/h1-7,23H,8-15H2
InChIKeySJPHSCHSDXYGDB-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120857770
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120848138
2-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 60590696
1-(2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 120847846
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120847802
(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone
CID 120848228
4-[[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 27755112
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 114327054
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone (CID 120848011) is 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is SJPHSCHSDXYGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-19-7-2-1-4-17(19)14-20(26)25-12-10-24(11-13-25)15-18-6-3-5-16-8-9-23-21(16)18/h1-7,23H,8-15H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 369.90 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120848011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).