3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide

C15H18F4N2O — CID 134422953

IUPAC3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCC(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2O/c1-21-4-2-10(3-5-21)9-20-14(22)11-6-12(15(17,18)19)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H,20,22)
InChIKeyIOXMESYKHKKQAS-UHFFFAOYSA-N
MW318.31 g/mol
LogP2.92
Rot. Bonds3

About 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 134422953) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
PubChem CID134422953
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC Name3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCC(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2O/c1-21-4-2-10(3-5-21)9-20-14(22)11-6-12(15(17,18)19)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H,20,22)
InChIKeyIOXMESYKHKKQAS-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)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-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 71295573
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
3-fluoro-N-[[4-[(2-fluoro-3-pyridinyl)-methylamino]cyclohexyl]methyl]-5-(trifluoromethyl)benzamide
CID 68985577
2-chloro-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 114034209
3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 143903261

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide (CID 134422953) is 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide is CN1CCC(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is IOXMESYKHKKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O/c1-21-4-2-10(3-5-21)9-20-14(22)11-6-12(15(17,18)19)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H,20,22).
What are the key properties of 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 318.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 134422953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).