N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide

C29H32FN3O — CID 57392493

IUPACN,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccnc2)cc1
InChIInChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)25-11-9-23(10-12-25)28(26-6-5-17-31-20-26)24-15-18-32(19-16-24)21-22-7-13-27(30)14-8-22/h5-14,17,20H,3-4,15-16,18-19,21H2,1-2H3
InChIKeyUJKDKDBDMKMBRK-UHFFFAOYSA-N
MW457.59 g/mol
LogP5.80
Rot. Bonds7

About N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide

N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide (PubChem CID 57392493) has the molecular formula C29H32FN3O and a molecular weight of 457.59 g/mol. Its IUPAC name is N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide
PubChem CID57392493
Molecular FormulaC29H32FN3O
Molecular Weight457.59 g/mol
Exact Mass457.25
IUPAC NameN,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccnc2)cc1
InChIInChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)25-11-9-23(10-12-25)28(26-6-5-17-31-20-26)24-15-18-32(19-16-24)21-22-7-13-27(30)14-8-22/h5-14,17,20H,3-4,15-16,18-19,21H2,1-2H3
InChIKeyUJKDKDBDMKMBRK-UHFFFAOYSA-N
XLogP5.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide (CID 57392493) is N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccnc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide?
The InChIKey is UJKDKDBDMKMBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)25-11-9-23(10-12-25)28(26-6-5-17-31-20-26)24-15-18-32(19-16-24)21-22-7-13-27(30)14-8-22/h5-14,17,20H,3-4,15-16,18-19,21H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide?
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide has a molecular weight of 457.59 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 57392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).