2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide

C16H21FN2O2 — CID 42646134

IUPAC2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(F)=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21FN2O2/c1-18(21-2)16(20)15(17)14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyFPKOWBHZPVQZCW-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.53
Rot. Bonds4

About 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide

2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide (PubChem CID 42646134) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide
PubChem CID42646134
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(F)=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21FN2O2/c1-18(21-2)16(20)15(17)14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyFPKOWBHZPVQZCW-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide (CID 42646134) is 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide is CON(C)C(=O)C(F)=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide?
The InChIKey is FPKOWBHZPVQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18(21-2)16(20)15(17)14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide?
2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide has a molecular weight of 292.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide is sourced from PubChem (CID 42646134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).