[3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C28H27Cl2N3O — CID 16646087

IUPAC[3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CCN(c3cccc(Cl)c3)CC1)n2C
InChIInChI=1S/C28H27Cl2N3O/c1-3-19-7-12-25-24(17-19)26(20-8-10-21(29)11-9-20)27(31(25)2)28(34)33-15-13-32(14-16-33)23-6-4-5-22(30)18-23/h4-12,17-18H,3,13-16H2,1-2H3
InChIKeyPDAKAOFKIYGTAB-UHFFFAOYSA-N
MW492.45 g/mol
LogP6.68
Rot. Bonds4

About [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 16646087) has the molecular formula C28H27Cl2N3O and a molecular weight of 492.45 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID16646087
Molecular FormulaC28H27Cl2N3O
Molecular Weight492.45 g/mol
Exact Mass491.15
IUPAC Name[3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CCN(c3cccc(Cl)c3)CC1)n2C
InChIInChI=1S/C28H27Cl2N3O/c1-3-19-7-12-25-24(17-19)26(20-8-10-21(29)11-9-20)27(31(25)2)28(34)33-15-13-32(14-16-33)23-6-4-5-22(30)18-23/h4-12,17-18H,3,13-16H2,1-2H3
InChIKeyPDAKAOFKIYGTAB-UHFFFAOYSA-N
XLogP6.68
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(4-benzylpiperazin-1-yl)-(5-chloro-1,3-dimethylindol-2-yl)methanone
CID 16646083
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62833198
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 16646087) is [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CCN(c3cccc(Cl)c3)CC1)n2C.
What is the InChIKey of [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is PDAKAOFKIYGTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O/c1-3-19-7-12-25-24(17-19)26(20-8-10-21(29)11-9-20)27(31(25)2)28(34)33-15-13-32(14-16-33)23-6-4-5-22(30)18-23/h4-12,17-18H,3,13-16H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 492.45 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16646087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).