[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate

C13H22N2O4 — CID 143037581

IUPAC[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate
SMILESO=C(OC1(C(=O)NO)CCCCC1)N1CCCCC1
InChIInChI=1S/C13H22N2O4/c16-11(14-18)13(7-3-1-4-8-13)19-12(17)15-9-5-2-6-10-15/h18H,1-10H2,(H,14,16)
InChIKeyBZZGYQXOTDBOMT-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.82
Rot. Bonds2

About [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate

[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate (PubChem CID 143037581) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate
PubChem CID143037581
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate
SMILESO=C(OC1(C(=O)NO)CCCCC1)N1CCCCC1
InChIInChI=1S/C13H22N2O4/c16-11(14-18)13(7-3-1-4-8-13)19-12(17)15-9-5-2-6-10-15/h18H,1-10H2,(H,14,16)
InChIKeyBZZGYQXOTDBOMT-UHFFFAOYSA-N
XLogP1.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate?
The IUPAC name of [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate (CID 143037581) is [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate.
What is the SMILES notation for [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate?
The canonical SMILES for [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate is O=C(OC1(C(=O)NO)CCCCC1)N1CCCCC1.
What is the InChIKey of [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate?
The InChIKey is BZZGYQXOTDBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(14-18)13(7-3-1-4-8-13)19-12(17)15-9-5-2-6-10-15/h18H,1-10H2,(H,14,16).
What are the key properties of [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate?
[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate is sourced from PubChem (CID 143037581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).