4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide

C18H28N2O3 — CID 91918341

IUPAC4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCCOCCOC1CCN(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-22-14-15-23-17-9-12-20(13-10-17)18(21)19-11-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,19,21)
InChIKeyWEUVCWABFBONDL-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.46
Rot. Bonds8

About 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide

4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 91918341) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID91918341
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCCOCCOC1CCN(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-22-14-15-23-17-9-12-20(13-10-17)18(21)19-11-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,19,21)
InChIKeyWEUVCWABFBONDL-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide (CID 91918341) is 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide is CCOCCOC1CCN(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is WEUVCWABFBONDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-22-14-15-23-17-9-12-20(13-10-17)18(21)19-11-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,19,21).
What are the key properties of 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide?
4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 91918341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).