methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate

C23H42N2O2Si — CID 140660834

IUPACmethyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCN([Si](C2CCCC2)(C2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H42N2O2Si/c1-27-23(26)14-15-24-16-18-25(19-17-24)28(20-8-2-3-9-20,21-10-4-5-11-21)22-12-6-7-13-22/h20-22H,2-19H2,1H3
InChIKeyWRYXJZQEXUDGOZ-UHFFFAOYSA-N
MW406.69 g/mol
LogP4.95
Rot. Bonds7

About methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate

methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate (PubChem CID 140660834) has the molecular formula C23H42N2O2Si and a molecular weight of 406.69 g/mol. Its IUPAC name is methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate
PubChem CID140660834
Molecular FormulaC23H42N2O2Si
Molecular Weight406.69 g/mol
Exact Mass406.30
IUPAC Namemethyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCN([Si](C2CCCC2)(C2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H42N2O2Si/c1-27-23(26)14-15-24-16-18-25(19-17-24)28(20-8-2-3-9-20,21-10-4-5-11-21)22-12-6-7-13-22/h20-22H,2-19H2,1H3
InChIKeyWRYXJZQEXUDGOZ-UHFFFAOYSA-N
XLogP4.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.69
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
methyl 3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660761
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate (CID 140660834) is methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate is COC(=O)CCN1CCN([Si](C2CCCC2)(C2CCCC2)C2CCCC2)CC1.
What is the InChIKey of methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate?
The InChIKey is WRYXJZQEXUDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2Si/c1-27-23(26)14-15-24-16-18-25(19-17-24)28(20-8-2-3-9-20,21-10-4-5-11-21)22-12-6-7-13-22/h20-22H,2-19H2,1H3.
What are the key properties of methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate?
methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate has a molecular weight of 406.69 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate is sourced from PubChem (CID 140660834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).