N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide

C24H32F2N2O3 — CID 176579457

IUPACN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide
SMILESCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C(C)(F)F)C2)c1)C1CCCCC1
InChIInChI=1S/C24H32F2N2O3/c1-16(29)21(17-8-4-3-5-9-17)27-22(30)19-11-6-10-18(14-19)20-12-7-13-28(15-20)23(31)24(2,25)26/h6,10-11,14,17,20-21H,3-5,7-9,12-13,15H2,1-2H3,(H,27,30)/t20?,21-/m0/s1
InChIKeyZTSRYTBXKGVRIN-LBAQZLPGSA-N
MW434.53 g/mol
LogP4.32
Rot. Bonds6

About N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide (PubChem CID 176579457) has the molecular formula C24H32F2N2O3 and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide
PubChem CID176579457
Molecular FormulaC24H32F2N2O3
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide
SMILESCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C(C)(F)F)C2)c1)C1CCCCC1
InChIInChI=1S/C24H32F2N2O3/c1-16(29)21(17-8-4-3-5-9-17)27-22(30)19-11-6-10-18(14-19)20-12-7-13-28(15-20)23(31)24(2,25)26/h6,10-11,14,17,20-21H,3-5,7-9,12-13,15H2,1-2H3,(H,27,30)/t20?,21-/m0/s1
InChIKeyZTSRYTBXKGVRIN-LBAQZLPGSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176576947
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176576528
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]benzamide
CID 176581350
3-[1-(2-cyano-2-methylpropanoyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579562
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-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]benzamide;molecular hydrogen
CID 176579424
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-2-oxopropyl]-3-[1-[2-(pyrimidin-4-ylmethylamino)acetyl]piperidin-3-yl]benzamide
CID 176582528
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(methylamino)acetyl]azetidin-3-yl]benzamide;ethane;molecular hydrogen
CID 176579563
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176578686

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide (CID 176579457) is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide is CC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C(C)(F)F)C2)c1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide?
The InChIKey is ZTSRYTBXKGVRIN-LBAQZLPGSA-N. The full InChI is InChI=1S/C24H32F2N2O3/c1-16(29)21(17-8-4-3-5-9-17)27-22(30)19-11-6-10-18(14-19)20-12-7-13-28(15-20)23(31)24(2,25)26/h6,10-11,14,17,20-21H,3-5,7-9,12-13,15H2,1-2H3,(H,27,30)/t20?,21-/m0/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide?
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide has a molecular weight of 434.53 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 176579457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).