2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C16H26N2O5 — CID 4644105

IUPAC2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCOC(=O)N1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1
InChIInChI=1S/C16H26N2O5/c1-2-23-15(22)18-9-7-17(8-10-18)13(19)11-16(12-14(20)21)5-3-4-6-16/h2-12H2,1H3,(H,20,21)
InChIKeyMLTYWVGQWFXAHR-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.71
Rot. Bonds5

About 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 4644105) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID4644105
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCOC(=O)N1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1
InChIInChI=1S/C16H26N2O5/c1-2-23-15(22)18-9-7-17(8-10-18)13(19)11-16(12-14(20)21)5-3-4-6-16/h2-12H2,1H3,(H,20,21)
InChIKeyMLTYWVGQWFXAHR-UHFFFAOYSA-N
XLogP1.71
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,2-Trimethyl-3-(4-methyl-piperazine-1-carbonyl)-cyclopentanecarboxylic acid
CID 3151272
2-[1-[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 2348562
2-{1-[2-(Morpholin-4-yl)-2-oxoethyl]cyclopentyl}acetic acid
CID 3823452
2-[1-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196772
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196812
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547710
2-[1-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 1547711
Methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate
CID 99828745
2-[1-[2-(2-Morpholin-4-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 2429525
2-[1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
2-[1-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655383
2-[1-(2-Oxo-2-piperidin-1-ylethyl)cyclopentyl]acetic acid
CID 4644102

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 4644105) is 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is CCOC(=O)N1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1.
What is the InChIKey of 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is MLTYWVGQWFXAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-2-23-15(22)18-9-7-17(8-10-18)13(19)11-16(12-14(20)21)5-3-4-6-16/h2-12H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 326.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 4644105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).