2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid

C14H20N2O2S — CID 65055723

IUPAC2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(c2cccs2)C2CC2)CC1
InChIInChI=1S/C14H20N2O2S/c17-13(18)10-15-5-7-16(8-6-15)14(11-3-4-11)12-2-1-9-19-12/h1-2,9,11,14H,3-8,10H2,(H,17,18)
InChIKeyXEAIDIMOFFXOAU-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.90
Rot. Bonds5

About 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid

2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 65055723) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID65055723
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(c2cccs2)C2CC2)CC1
InChIInChI=1S/C14H20N2O2S/c17-13(18)10-15-5-7-16(8-6-15)14(11-3-4-11)12-2-1-9-19-12/h1-2,9,11,14H,3-8,10H2,(H,17,18)
InChIKeyXEAIDIMOFFXOAU-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyclopropyl(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061593
2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79606463
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064495
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[4-[2-cyclopropyl-3-[1-(thiophen-2-ylmethyl)triazol-4-yl]propanoyl]piperazin-1-yl]acetic acid
CID 146146830
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733009
3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 43727742
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine
CID 65417458
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid (CID 65055723) is 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(c2cccs2)C2CC2)CC1.
What is the InChIKey of 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is XEAIDIMOFFXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13(18)10-15-5-7-16(8-6-15)14(11-3-4-11)12-2-1-9-19-12/h1-2,9,11,14H,3-8,10H2,(H,17,18).
What are the key properties of 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 280.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 65055723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).