4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 61403150

IUPAC4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC2CCNCC2)(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-2-11-3-7-15(8-4-11,13(19)20)18-14(21)17-12-5-9-16-10-6-12/h11-12,16H,2-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRILUXRGEKWIIOK-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.46
Rot. Bonds4

About 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61403150) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61403150
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC2CCNCC2)(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-2-11-3-7-15(8-4-11,13(19)20)18-14(21)17-12-5-9-16-10-6-12/h11-12,16H,2-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRILUXRGEKWIIOK-UHFFFAOYSA-N
XLogP1.46
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63122559
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
4-ethyl-1-[[(2R)-pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 103870910
1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104913572
4-ethyl-1-(4-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61197269
1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61187593
4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63131360
N-(4-ethylcyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63122348

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61403150) is 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)NC2CCNCC2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RILUXRGEKWIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-11-3-7-15(8-4-11,13(19)20)18-14(21)17-12-5-9-16-10-6-12/h11-12,16H,2-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61403150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).