3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide

C25H25F2N3O — CID 92572784

IUPAC3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
SMILESO=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1cccc(F)c1
InChIInChI=1S/C25H25F2N3O/c26-21-8-5-7-19(16-21)25(31)29-24(23-10-3-4-13-28-23)18-11-14-30(15-12-18)17-20-6-1-2-9-22(20)27/h1-10,13,16,18,24H,11-12,14-15,17H2,(H,29,31)/t24-/m0/s1
InChIKeyDANQPOBSUIBBIM-DEOSSOPVSA-N
MW421.49 g/mol
LogP4.74
Rot. Bonds6

About 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide

3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide (PubChem CID 92572784) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
PubChem CID92572784
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC Name3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
SMILESO=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1cccc(F)c1
InChIInChI=1S/C25H25F2N3O/c26-21-8-5-7-19(16-21)25(31)29-24(23-10-3-4-13-28-23)18-11-14-30(15-12-18)17-20-6-1-2-9-22(20)27/h1-10,13,16,18,24H,11-12,14-15,17H2,(H,29,31)/t24-/m0/s1
InChIKeyDANQPOBSUIBBIM-DEOSSOPVSA-N
XLogP4.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-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

Related Compounds

3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577278
N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92572787
N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577245
3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228605
3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228651
2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228657
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 110228766
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 110228772
N-[(S)-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577155
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The IUPAC name of 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide (CID 92572784) is 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide is O=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The InChIKey is DANQPOBSUIBBIM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25F2N3O/c26-21-8-5-7-19(16-21)25(31)29-24(23-10-3-4-13-28-23)18-11-14-30(15-12-18)17-20-6-1-2-9-22(20)27/h1-10,13,16,18,24H,11-12,14-15,17H2,(H,29,31)/t24-/m0/s1.
What are the key properties of 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide has a molecular weight of 421.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide is sourced from PubChem (CID 92572784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).