1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 39036127

IUPAC1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN1CCN(C(=O)CC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-15-7-9-16(10-8-15)12(17)11-14(13(18)19)5-3-2-4-6-14/h2-11H2,1H3,(H,18,19)
InChIKeyUZJAHRBQOUKFOS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 39036127) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID39036127
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN1CCN(C(=O)CC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-15-7-9-16(10-8-15)12(17)11-14(13(18)19)5-3-2-4-6-14/h2-11H2,1H3,(H,18,19)
InChIKeyUZJAHRBQOUKFOS-UHFFFAOYSA-N
XLogP1.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63160394
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43437351
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114678079
1-methyl-4-(2-oxopropyl)azepane-4-carboxylic acid
CID 115028358
1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43562549
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 55135653
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43590255

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 39036127) is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid is CN1CCN(C(=O)CC2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is UZJAHRBQOUKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15-7-9-16(10-8-15)12(17)11-14(13(18)19)5-3-2-4-6-14/h2-11H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 39036127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).