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

C25H26FN3O — CID 46052954

IUPAC2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C25H26FN3O/c1-19-5-4-6-22(17-19)29(25(30)23-7-2-3-8-24(23)26)21-11-15-28(16-12-21)18-20-9-13-27-14-10-20/h2-10,13-14,17,21H,11-12,15-16,18H2,1H3
InChIKeyCZVWJZLRBYQOGC-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.84
Rot. Bonds5

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

2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 46052954) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
PubChem CID46052954
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C25H26FN3O/c1-19-5-4-6-22(17-19)29(25(30)23-7-2-3-8-24(23)26)21-11-15-28(16-12-21)18-20-9-13-27-14-10-20/h2-10,13-14,17,21H,11-12,15-16,18H2,1H3
InChIKeyCZVWJZLRBYQOGC-UHFFFAOYSA-N
XLogP4.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]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

2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
CID 42853384
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-(3,4-dimethoxyphenyl)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 42853326
N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
CID 46055125
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide
CID 46048250
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 46054712
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (CID 46052954) is 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is Cc1cccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is CZVWJZLRBYQOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-19-5-4-6-22(17-19)29(25(30)23-7-2-3-8-24(23)26)21-11-15-28(16-12-21)18-20-9-13-27-14-10-20/h2-10,13-14,17,21H,11-12,15-16,18H2,1H3.
What are the key properties of 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46052954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).