2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid

C13H22N2O3S — CID 113427775

IUPAC2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H22N2O3S/c16-12(9-19-10-13(17)18)15-7-5-14(6-8-15)11-3-1-2-4-11/h11H,1-10H2,(H,17,18)
InChIKeyUYOZDFMOZDFPKN-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.89
Rot. Bonds5

About 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid

2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid (PubChem CID 113427775) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
PubChem CID113427775
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H22N2O3S/c16-12(9-19-10-13(17)18)15-7-5-14(6-8-15)11-3-1-2-4-11/h11H,1-10H2,(H,17,18)
InChIKeyUYOZDFMOZDFPKN-UHFFFAOYSA-N
XLogP0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569543
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone
CID 18456285
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115572419
2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
CID 62369979
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
CID 83634844
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
2-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 43091410

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid (CID 113427775) is 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is UYOZDFMOZDFPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c16-12(9-19-10-13(17)18)15-7-5-14(6-8-15)11-3-1-2-4-11/h11H,1-10H2,(H,17,18).
What are the key properties of 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid?
2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 286.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 113427775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).