2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone

C24H28ClN3O2 — CID 18094464

IUPAC2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone
SMILESCCc1cccc2c(C(=O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c[nH]c12
InChIInChI=1S/C24H28ClN3O2/c1-2-18-4-3-5-21-22(16-26-24(18)21)23(29)17-28-12-10-27(11-13-28)14-15-30-20-8-6-19(25)7-9-20/h3-9,16,26H,2,10-15,17H2,1H3
InChIKeyJDZGXJFVGHSRMY-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.26
Rot. Bonds8

About 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone (PubChem CID 18094464) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone
PubChem CID18094464
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone
SMILESCCc1cccc2c(C(=O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c[nH]c12
InChIInChI=1S/C24H28ClN3O2/c1-2-18-4-3-5-21-22(16-26-24(18)21)23(29)17-28-12-10-27(11-13-28)14-15-30-20-8-6-19(25)7-9-20/h3-9,16,26H,2,10-15,17H2,1H3
InChIKeyJDZGXJFVGHSRMY-UHFFFAOYSA-N
XLogP4.26
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 9248225
1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 9275355
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 7185937
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 7628285
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8907064
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 30649023

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone (CID 18094464) is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone is CCc1cccc2c(C(=O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c[nH]c12.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone?
The InChIKey is JDZGXJFVGHSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-2-18-4-3-5-21-22(16-26-24(18)21)23(29)17-28-12-10-27(11-13-28)14-15-30-20-8-6-19(25)7-9-20/h3-9,16,26H,2,10-15,17H2,1H3.
What are the key properties of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone?
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone has a molecular weight of 425.96 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 18094464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).