N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide

C24H30F4N2O3 — CID 176579942

IUPACN-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
SMILESCCC(=O)C(NC(=O)c1cccc(C2CCCN(C(=O)C(F)(F)F)C2)c1F)C1CCCCC1
InChIInChI=1S/C24H30F4N2O3/c1-2-19(31)21(15-8-4-3-5-9-15)29-22(32)18-12-6-11-17(20(18)25)16-10-7-13-30(14-16)23(33)24(26,27)28/h6,11-12,15-16,21H,2-5,7-10,13-14H2,1H3,(H,29,32)
InChIKeyGLMKDFQIHFTQCA-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.75
Rot. Bonds6

About N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide

N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide (PubChem CID 176579942) has the molecular formula C24H30F4N2O3 and a molecular weight of 470.51 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
PubChem CID176579942
Molecular FormulaC24H30F4N2O3
Molecular Weight470.51 g/mol
Exact Mass470.22
IUPAC NameN-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
SMILESCCC(=O)C(NC(=O)c1cccc(C2CCCN(C(=O)C(F)(F)F)C2)c1F)C1CCCCC1
InChIInChI=1S/C24H30F4N2O3/c1-2-19(31)21(15-8-4-3-5-9-15)29-22(32)18-12-6-11-17(20(18)25)16-10-7-13-30(14-16)23(33)24(26,27)28/h6,11-12,15-16,21H,2-5,7-10,13-14H2,1H3,(H,29,32)
InChIKeyGLMKDFQIHFTQCA-UHFFFAOYSA-N
XLogP4.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-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

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176577998
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen
CID 176579565
N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
CID 176579164
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide
CID 176579606
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen
CID 176575708
3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576364
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[(1R)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]-2-fluorobenzamide
CID 176577186
3-[(3S)-1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576145
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
CID 176576220
N-(1-cyclohexyl-2-oxopropyl)-2-fluoro-3-[1-(2-methylidenebutanoyl)piperidin-4-yl]benzamide;ethane
CID 176577039
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,4-difluorobenzoyl)piperidin-3-yl]-2-fluorobenzamide;molecular hydrogen
CID 176582396
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176576947

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?
The IUPAC name of N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide (CID 176579942) is N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide is CCC(=O)C(NC(=O)c1cccc(C2CCCN(C(=O)C(F)(F)F)C2)c1F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?
The InChIKey is GLMKDFQIHFTQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N2O3/c1-2-19(31)21(15-8-4-3-5-9-15)29-22(32)18-12-6-11-17(20(18)25)16-10-7-13-30(14-16)23(33)24(26,27)28/h6,11-12,15-16,21H,2-5,7-10,13-14H2,1H3,(H,29,32).
What are the key properties of N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?
N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide has a molecular weight of 470.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 176579942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).