methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate

C14H22N2O2S — CID 129374038

IUPACmethyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cccs2)[C@H](C)C1
InChIInChI=1S/C14H22N2O2S/c1-12-10-15(6-5-14(17)18-2)7-8-16(12)11-13-4-3-9-19-13/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyJBTACGIUUCMXTE-GFCCVEGCSA-N
MW282.41 g/mol
LogP1.82
Rot. Bonds5

About methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate

methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate (PubChem CID 129374038) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate
PubChem CID129374038
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Namemethyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cccs2)[C@H](C)C1
InChIInChI=1S/C14H22N2O2S/c1-12-10-15(6-5-14(17)18-2)7-8-16(12)11-13-4-3-9-19-13/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyJBTACGIUUCMXTE-GFCCVEGCSA-N
XLogP1.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 99802465
methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate
CID 75443753
methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188
methyl 3-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanoate
CID 97333716
methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 29217472
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
methyl 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]butanoate
CID 30965418
2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16671279
methyl (2S,4S)-4-hydroxy-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylate
CID 103886932
methyl 3-[3-methyl-4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoate
CID 75442817
N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 95602435

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate (CID 129374038) is methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(Cc2cccs2)[C@H](C)C1.
What is the InChIKey of methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate?
The InChIKey is JBTACGIUUCMXTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-10-15(6-5-14(17)18-2)7-8-16(12)11-13-4-3-9-19-13/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate?
methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate has a molecular weight of 282.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 129374038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).