ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate

C18H32N2O4 — CID 52650746

IUPACethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCCOC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O4/c1-2-23-17(21)15-9-12-20(13-10-15)18(22)19-11-6-14-24-16-7-4-3-5-8-16/h15-16H,2-14H2,1H3,(H,19,22)
InChIKeyVWTQIAOTHUTZSO-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.71
Rot. Bonds7

About ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate

ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate (PubChem CID 52650746) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate
PubChem CID52650746
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nameethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCCOC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O4/c1-2-23-17(21)15-9-12-20(13-10-15)18(22)19-11-6-14-24-16-7-4-3-5-8-16/h15-16H,2-14H2,1H3,(H,19,22)
InChIKeyVWTQIAOTHUTZSO-UHFFFAOYSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate (CID 52650746) is ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCCCOC2CCCCC2)CC1.
What is the InChIKey of ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is VWTQIAOTHUTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-2-23-17(21)15-9-12-20(13-10-15)18(22)19-11-6-14-24-16-7-4-3-5-8-16/h15-16H,2-14H2,1H3,(H,19,22).
What are the key properties of ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclohexyloxypropylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 52650746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).