N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide

C23H27FN2O — CID 10570940

IUPACN,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3
InChIKeyLPYYOHCTDGHYSI-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.49
Rot. Bonds5

About N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide

N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide (PubChem CID 10570940) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide
PubChem CID10570940
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC NameN,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3
InChIKeyLPYYOHCTDGHYSI-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide (CID 10570940) is N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is LPYYOHCTDGHYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 366.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 10570940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).