4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 63783355

IUPAC4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCN1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1C
InChIInChI=1S/C15H26N2O3/c1-3-16-8-9-17(10-11(16)2)14(18)12-4-6-13(7-5-12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyPIZNYTKCKYMCQF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.43
Rot. Bonds3

About 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783355) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783355
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCN1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1C
InChIInChI=1S/C15H26N2O3/c1-3-16-8-9-17(10-11(16)2)14(18)12-4-6-13(7-5-12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyPIZNYTKCKYMCQF-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55218094
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125816
(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901147
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
CID 63614715
(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 63620867
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 119880090
(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136528204

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63783355) is 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is CCN1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is PIZNYTKCKYMCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-16-8-9-17(10-11(16)2)14(18)12-4-6-13(7-5-12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).