2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide

C16H23FN2O2 — CID 171365222

IUPAC2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
SMILESCOCCNC(=O)c1c(C)cc(C2CCNCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11-9-13(12-3-5-18-6-4-12)10-14(17)15(11)16(20)19-7-8-21-2/h9-10,12,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyOLBAKUIVYCPTCM-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.98
Rot. Bonds5

About 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide

2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide (PubChem CID 171365222) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
PubChem CID171365222
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
SMILESCOCCNC(=O)c1c(C)cc(C2CCNCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11-9-13(12-3-5-18-6-4-12)10-14(17)15(11)16(20)19-7-8-21-2/h9-10,12,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyOLBAKUIVYCPTCM-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
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-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide (CID 171365222) is 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide is COCCNC(=O)c1c(C)cc(C2CCNCC2)cc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide?
The InChIKey is OLBAKUIVYCPTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-9-13(12-3-5-18-6-4-12)10-14(17)15(11)16(20)19-7-8-21-2/h9-10,12,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide?
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide is sourced from PubChem (CID 171365222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).