N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide

C21H23FN2O — CID 23435915

IUPACN-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H23FN2O/c1-15(25)24(2)20-8-6-16(7-9-20)21(17-10-12-23-13-11-17)18-4-3-5-19(22)14-18/h3-9,14,23H,10-13H2,1-2H3
InChIKeyRTVCMXNJTVTHMA-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.99
Rot. Bonds3

About N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide

N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide (PubChem CID 23435915) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide
PubChem CID23435915
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H23FN2O/c1-15(25)24(2)20-8-6-16(7-9-20)21(17-10-12-23-13-11-17)18-4-3-5-19(22)14-18/h3-9,14,23H,10-13H2,1-2H3
InChIKeyRTVCMXNJTVTHMA-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide (CID 23435915) is N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide?
The InChIKey is RTVCMXNJTVTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-15(25)24(2)20-8-6-16(7-9-20)21(17-10-12-23-13-11-17)18-4-3-5-19(22)14-18/h3-9,14,23H,10-13H2,1-2H3.
What are the key properties of N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide?
N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide has a molecular weight of 338.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 23435915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).