2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C16H28N2O3 — CID 63610859

IUPAC2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1C
InChIInChI=1S/C16H28N2O3/c1-3-17-8-9-18(12-13(17)2)14(19)10-16(11-15(20)21)6-4-5-7-16/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyJJQVAGMRWBEOCW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 63610859) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID63610859
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1C
InChIInChI=1S/C16H28N2O3/c1-3-17-8-9-18(12-13(17)2)14(19)10-16(11-15(20)21)6-4-5-7-16/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyJJQVAGMRWBEOCW-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235005
2-[1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 79188535
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300311
2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
2-[1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 112624717
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
1-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63615527
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434336
2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 107214560

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 63610859) is 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is CCN1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1C.
What is the InChIKey of 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is JJQVAGMRWBEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-17-8-9-18(12-13(17)2)14(19)10-16(11-15(20)21)6-4-5-7-16/h13H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 63610859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).