methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate

C19H27N3O2 — CID 83949055

IUPACmethyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCCN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C19H27N3O2/c1-15-5-6-18-17(12-15)16(13-22(18)14-19(23)24-2)4-3-9-21-10-7-20-8-11-21/h5-6,12-13,20H,3-4,7-11,14H2,1-2H3
InChIKeyKNVGKAIGAREPDO-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.96
Rot. Bonds6

About methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate

methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate (PubChem CID 83949055) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
PubChem CID83949055
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namemethyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCCN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C19H27N3O2/c1-15-5-6-18-17(12-15)16(13-22(18)14-19(23)24-2)4-3-9-21-10-7-20-8-11-21/h5-6,12-13,20H,3-4,7-11,14H2,1-2H3
InChIKeyKNVGKAIGAREPDO-UHFFFAOYSA-N
XLogP1.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate with MolForge

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Related Compounds

2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
2-[5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947404
1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944
methyl 2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetate
CID 83946726
2-[5,6-dimethyl-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947403
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
CID 83947668
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate (CID 83949055) is methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate is COC(=O)Cn1cc(CCCN2CCNCC2)c2cc(C)ccc21.
What is the InChIKey of methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate?
The InChIKey is KNVGKAIGAREPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-5-6-18-17(12-15)16(13-22(18)14-19(23)24-2)4-3-9-21-10-7-20-8-11-21/h5-6,12-13,20H,3-4,7-11,14H2,1-2H3.
What are the key properties of methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate?
methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate has a molecular weight of 329.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate is sourced from PubChem (CID 83949055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).