ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate

C16H26N2O5 — CID 87757885

IUPACethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NOC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H26N2O5/c1-2-22-16(21)18-10-8-12(9-11-18)14(19)17-23-15(20)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyCYODRXUWMADYSJ-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.01
Rot. Bonds3

About ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate

ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate (PubChem CID 87757885) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate
PubChem CID87757885
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nameethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NOC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H26N2O5/c1-2-22-16(21)18-10-8-12(9-11-18)14(19)17-23-15(20)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyCYODRXUWMADYSJ-UHFFFAOYSA-N
XLogP2.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
(piperidine-1-carbonylamino) cyclohexanecarboxylate
CID 174574902
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 31011883
ethyl 1-(cyclopentylcarbamothioyl)piperidine-4-carboxylate
CID 892640
ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239371
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate (CID 87757885) is ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NOC(=O)C2CCCCC2)CC1.
What is the InChIKey of ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate?
The InChIKey is CYODRXUWMADYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-2-22-16(21)18-10-8-12(9-11-18)14(19)17-23-15(20)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,19).
What are the key properties of ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate?
ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 87757885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).