3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one

C21H21Cl2N3O — CID 18669068

IUPAC3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)N1CCNCC1
InChIInChI=1S/C21H21Cl2N3O/c22-15-3-1-14(2-4-15)21-17(18-13-16(23)5-7-19(18)25-21)6-8-20(27)26-11-9-24-10-12-26/h1-5,7,13,24-25H,6,8-12H2
InChIKeyJTYFFFSWLZPRIB-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.51
Rot. Bonds4

About 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one

3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 18669068) has the molecular formula C21H21Cl2N3O and a molecular weight of 402.33 g/mol. Its IUPAC name is 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID18669068
Molecular FormulaC21H21Cl2N3O
Molecular Weight402.33 g/mol
Exact Mass401.11
IUPAC Name3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)N1CCNCC1
InChIInChI=1S/C21H21Cl2N3O/c22-15-3-1-14(2-4-15)21-17(18-13-16(23)5-7-19(18)25-21)6-8-20(27)26-11-9-24-10-12-26/h1-5,7,13,24-25H,6,8-12H2
InChIKeyJTYFFFSWLZPRIB-UHFFFAOYSA-N
XLogP4.51
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one
CID 18669066
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1-(azepan-1-yl)-4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
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3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 166586133
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 17481914
2-[2-(4-chlorophenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3994534
1-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452065
4-[[4-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperazin-1-yl]methyl]benzamide
CID 112826584
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55506676
N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide
CID 46521131
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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one (CID 18669068) is 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one is O=C(CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)N1CCNCC1.
What is the InChIKey of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is JTYFFFSWLZPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O/c22-15-3-1-14(2-4-15)21-17(18-13-16(23)5-7-19(18)25-21)6-8-20(27)26-11-9-24-10-12-26/h1-5,7,13,24-25H,6,8-12H2.
What are the key properties of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one?
3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 402.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 18669068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).