2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

C17H30N2O3 — CID 46295206

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-22-12-9-18-16(20)13-14-7-10-19(11-8-14)17(21)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,18,20)
InChIKeyVVPOVTNRHUAHLX-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.96
Rot. Bonds6

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 46295206) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID46295206
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-22-12-9-18-16(20)13-14-7-10-19(11-8-14)17(21)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,18,20)
InChIKeyVVPOVTNRHUAHLX-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.96
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 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide (CID 46295206) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is VVPOVTNRHUAHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-22-12-9-18-16(20)13-14-7-10-19(11-8-14)17(21)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,18,20).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46295206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).