(piperidine-1-carbonylamino) cyclohexanecarboxylate

C13H22N2O3 — CID 174574902

IUPAC(piperidine-1-carbonylamino) cyclohexanecarboxylate
SMILESO=C(ONC(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-12(11-7-3-1-4-8-11)18-14-13(17)15-9-5-2-6-10-15/h11H,1-10H2,(H,14,17)
InChIKeyDWUCMVLRTBMCNH-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.22
Rot. Bonds1

About (piperidine-1-carbonylamino) cyclohexanecarboxylate

(piperidine-1-carbonylamino) cyclohexanecarboxylate (PubChem CID 174574902) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (piperidine-1-carbonylamino) cyclohexanecarboxylate.

Molecular Properties

Compound Name(piperidine-1-carbonylamino) cyclohexanecarboxylate
PubChem CID174574902
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(piperidine-1-carbonylamino) cyclohexanecarboxylate
SMILESO=C(ONC(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-12(11-7-3-1-4-8-11)18-14-13(17)15-9-5-2-6-10-15/h11H,1-10H2,(H,14,17)
InChIKeyDWUCMVLRTBMCNH-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxyazocane-1-carboxamide
CID 130891205
(hydroxyamino) cyclohexanecarboxylate
CID 149013635
ethyl 4-(cyclohexanecarbonyloxycarbamoyl)piperidine-1-carboxylate
CID 87757885
[2-(azepan-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 78759962
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(2-methylpropoxycarbonylamino) cyclohexanecarboxylate
CID 87874228
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690
N-(1-oxothian-4-yl)piperidine-1-carboxamide
CID 104594568
ethane;methyl cyclohexanecarboxylate
CID 90871014
cyclooctyl cyclooctanecarboxylate
CID 57160377

Frequently Asked Questions

What is the IUPAC name of (piperidine-1-carbonylamino) cyclohexanecarboxylate?
The IUPAC name of (piperidine-1-carbonylamino) cyclohexanecarboxylate (CID 174574902) is (piperidine-1-carbonylamino) cyclohexanecarboxylate.
What is the SMILES notation for (piperidine-1-carbonylamino) cyclohexanecarboxylate?
The canonical SMILES for (piperidine-1-carbonylamino) cyclohexanecarboxylate is O=C(ONC(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of (piperidine-1-carbonylamino) cyclohexanecarboxylate?
The InChIKey is DWUCMVLRTBMCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(11-7-3-1-4-8-11)18-14-13(17)15-9-5-2-6-10-15/h11H,1-10H2,(H,14,17).
What are the key properties of (piperidine-1-carbonylamino) cyclohexanecarboxylate?
(piperidine-1-carbonylamino) cyclohexanecarboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (piperidine-1-carbonylamino) cyclohexanecarboxylate is sourced from PubChem (CID 174574902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).