2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

C15H26N2O3 — CID 43235035

IUPAC2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN1CCN(C(=O)CC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-16-7-9-17(10-8-16)13(18)11-15(12-14(19)20)5-3-2-4-6-15/h2-12H2,1H3,(H,19,20)
InChIKeyAUAWKBDMRBGCPK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235035) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235035
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN1CCN(C(=O)CC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-16-7-9-17(10-8-16)13(18)11-15(12-14(19)20)5-3-2-4-6-15/h2-12H2,1H3,(H,19,20)
InChIKeyAUAWKBDMRBGCPK-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
2-[1-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 65283825
2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235005
2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 64679856
2-[1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 79188535
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107019465
2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 107214560
2-[1-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65443743

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (CID 43235035) is 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is CN1CCN(C(=O)CC2(CC(=O)O)CCCCC2)CC1.
What is the InChIKey of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is AUAWKBDMRBGCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-16-7-9-17(10-8-16)13(18)11-15(12-14(19)20)5-3-2-4-6-15/h2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).