1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

C22H24ClN3O2 — CID 39441168

IUPAC1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-18-14-19(5-6-21(18)26)22(28)25-11-9-24(10-12-25)15-17-3-2-4-20(23)13-17/h2-6,13-14H,7-12,15H2,1H3
InChIKeyKZZVDYITVOIUGZ-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.21
Rot. Bonds3

About 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 39441168) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID39441168
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-18-14-19(5-6-21(18)26)22(28)25-11-9-24(10-12-25)15-17-3-2-4-20(23)13-17/h2-6,13-14H,7-12,15H2,1H3
InChIKeyKZZVDYITVOIUGZ-UHFFFAOYSA-N
XLogP3.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-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-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1,3-benzodioxol-5-yl-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642805
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 19323545
2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 24642612
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
1-[5-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 134042428
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 31619646
1-[6-benzyl-13-chloro-9-(4-methyl-3-piperidin-1-ylbenzoyl)-2,6,9-triazabicyclo[9.4.0]pentadeca-1(11),12,14-trien-2-yl]ethanone
CID 133072768
2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451765
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 171647739

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (CID 39441168) is 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KZZVDYITVOIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-18-14-19(5-6-21(18)26)22(28)25-11-9-24(10-12-25)15-17-3-2-4-20(23)13-17/h2-6,13-14H,7-12,15H2,1H3.
What are the key properties of 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 397.91 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 39441168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).