1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide

C17H28F2N2O3 — CID 75514237

IUPAC1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C17H28F2N2O3/c1-12-3-4-14(15(22)20-9-10-24-2)11-21(12)16(23)13-5-7-17(18,19)8-6-13/h12-14H,3-11H2,1-2H3,(H,20,22)
InChIKeyGWDHZNBJHSXMTG-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.20
Rot. Bonds5

About 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide

1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide (PubChem CID 75514237) has the molecular formula C17H28F2N2O3 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
PubChem CID75514237
Molecular FormulaC17H28F2N2O3
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C17H28F2N2O3/c1-12-3-4-14(15(22)20-9-10-24-2)11-21(12)16(23)13-5-7-17(18,19)8-6-13/h12-14H,3-11H2,1-2H3,(H,20,22)
InChIKeyGWDHZNBJHSXMTG-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.20
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 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide (CID 75514237) is 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide is COCCNC(=O)C1CCC(C)N(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is GWDHZNBJHSXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2O3/c1-12-3-4-14(15(22)20-9-10-24-2)11-21(12)16(23)13-5-7-17(18,19)8-6-13/h12-14H,3-11H2,1-2H3,(H,20,22).
What are the key properties of 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 75514237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).