2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H22N2O4 — CID 16786759

IUPAC2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-12(11)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyOCXVLELGYBZPHI-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.57
Rot. Bonds2

About 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 16786759) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID16786759
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-12(11)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyOCXVLELGYBZPHI-UHFFFAOYSA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
2-(4-methylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 60953415
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 61041905
cis-(1S,2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 94243487
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092330
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 16786759) is 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is CC(=O)N1CCN(C(=O)C2CCCCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is OCXVLELGYBZPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-12(11)14(19)20/h11-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16786759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).