3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide

C25H35FN2O3 — CID 176576364

IUPAC3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
SMILESCC(=O)N1CCCC(c2cccc(C(=O)N[C@@H](C(=O)C(C)C)C3CCCCC3)c2F)C1
InChIInChI=1S/C25H35FN2O3/c1-16(2)24(30)23(18-9-5-4-6-10-18)27-25(31)21-13-7-12-20(22(21)26)19-11-8-14-28(15-19)17(3)29/h7,12-13,16,18-19,23H,4-6,8-11,14-15H2,1-3H3,(H,27,31)/t19?,23-/m1/s1
InChIKeyNAISDUWHEDMADB-LEQGEALCSA-N
MW430.56 g/mol
LogP4.46
Rot. Bonds6

About 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide

3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide (PubChem CID 176576364) has the molecular formula C25H35FN2O3 and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
PubChem CID176576364
Molecular FormulaC25H35FN2O3
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
SMILESCC(=O)N1CCCC(c2cccc(C(=O)N[C@@H](C(=O)C(C)C)C3CCCCC3)c2F)C1
InChIInChI=1S/C25H35FN2O3/c1-16(2)24(30)23(18-9-5-4-6-10-18)27-25(31)21-13-7-12-20(22(21)26)19-11-8-14-28(15-19)17(3)29/h7,12-13,16,18-19,23H,4-6,8-11,14-15H2,1-3H3,(H,27,31)/t19?,23-/m1/s1
InChIKeyNAISDUWHEDMADB-LEQGEALCSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-3-methyl-2-oxobutyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide
CID 176579606
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-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
CID 176577705
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,4-difluorobenzoyl)piperidin-3-yl]-2-fluorobenzamide;molecular hydrogen
CID 176582396
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide
CID 176577503
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen
CID 176575708
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2-fluoro-3-(1-formyl-6,6-dimethylpiperidin-3-yl)benzamide;1,1-dimethylcyclopropane
CID 176582211
N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176579942
3-[(1S,5R)-3-(bicyclo[1.1.1]pentane-1-carbonyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 177118842
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
CID 176576220

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide?
The IUPAC name of 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide (CID 176576364) is 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide?
The canonical SMILES for 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide is CC(=O)N1CCCC(c2cccc(C(=O)N[C@@H](C(=O)C(C)C)C3CCCCC3)c2F)C1.
What is the InChIKey of 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide?
The InChIKey is NAISDUWHEDMADB-LEQGEALCSA-N. The full InChI is InChI=1S/C25H35FN2O3/c1-16(2)24(30)23(18-9-5-4-6-10-18)27-25(31)21-13-7-12-20(22(21)26)19-11-8-14-28(15-19)17(3)29/h7,12-13,16,18-19,23H,4-6,8-11,14-15H2,1-3H3,(H,27,31)/t19?,23-/m1/s1.
What are the key properties of 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide?
3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide has a molecular weight of 430.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide is sourced from PubChem (CID 176576364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).