N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide

C27H36F2N2O3 — CID 176578686

IUPACN-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide
SMILESCC(C)C(=O)C(NC(=O)c1cccc(C2CCCN(C(=O)C3CC3(F)F)C2)c1)C1CCCCC1
InChIInChI=1S/C27H36F2N2O3/c1-17(2)24(32)23(18-8-4-3-5-9-18)30-25(33)20-11-6-10-19(14-20)21-12-7-13-31(16-21)26(34)22-15-27(22,28)29/h6,10-11,14,17-18,21-23H,3-5,7-9,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyRAIIWZZDVKZTLC-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.95
Rot. Bonds7

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

N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide (PubChem CID 176578686) has the molecular formula C27H36F2N2O3 and a molecular weight of 474.59 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide
PubChem CID176578686
Molecular FormulaC27H36F2N2O3
Molecular Weight474.59 g/mol
Exact Mass474.27
IUPAC NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide
SMILESCC(C)C(=O)C(NC(=O)c1cccc(C2CCCN(C(=O)C3CC3(F)F)C2)c1)C1CCCCC1
InChIInChI=1S/C27H36F2N2O3/c1-17(2)24(32)23(18-8-4-3-5-9-18)30-25(33)20-11-6-10-19(14-20)21-12-7-13-31(16-21)26(34)22-15-27(22,28)29/h6,10-11,14,17-18,21-23H,3-5,7-9,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyRAIIWZZDVKZTLC-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzamide
CID 176576847
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176576947
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]benzamide
CID 176581350
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[(1R)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]-2-fluorobenzamide
CID 176577186
3-[1-(2-cyano-2-methylpropanoyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579562
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen
CID 176578042
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176579836
3-[1-(2-cyano-2-methylpropanoyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide;molecular hydrogen
CID 176579561
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]benzamide
CID 176577899
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-[2-[(1-methylpyrazol-4-yl)methylamino]acetyl]piperidin-3-yl]benzamide
CID 176579586

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide?
The IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide (CID 176578686) is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide is CC(C)C(=O)C(NC(=O)c1cccc(C2CCCN(C(=O)C3CC3(F)F)C2)c1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide?
The InChIKey is RAIIWZZDVKZTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2N2O3/c1-17(2)24(32)23(18-8-4-3-5-9-18)30-25(33)20-11-6-10-19(14-20)21-12-7-13-31(16-21)26(34)22-15-27(22,28)29/h6,10-11,14,17-18,21-23H,3-5,7-9,12-13,15-16H2,1-2H3,(H,30,33).
What are the key properties of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide?
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 176578686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).