N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide

C22H38F2N2O3 — CID 171593699

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC(C)(C)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C22H38F2N2O3/c1-15(2)19(27)25-18(20(28)26-12-10-21(4,5)11-13-26)16(3)29-14-17-6-8-22(23,24)9-7-17/h15-18H,6-14H2,1-5H3,(H,25,27)
InChIKeyIGKSGEUCFWOUQN-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.01
Rot. Bonds7

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 171593699) has the molecular formula C22H38F2N2O3 and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID171593699
Molecular FormulaC22H38F2N2O3
Molecular Weight416.55 g/mol
Exact Mass416.29
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC(C)(C)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C22H38F2N2O3/c1-15(2)19(27)25-18(20(28)26-12-10-21(4,5)11-13-26)16(3)29-14-17-6-8-22(23,24)9-7-17/h15-18H,6-14H2,1-5H3,(H,25,27)
InChIKeyIGKSGEUCFWOUQN-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide;ethane
CID 164603899
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164603900
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 164604108
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
CID 164604109
N-[3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164604132
2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide
CID 164604142
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-oxobutan-2-yl]acetamide
CID 164604383
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
CID 164604473
N-[3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164604525
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 164604550
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-oxobutan-2-yl]acetamide
CID 164604815

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide (CID 171593699) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C(=O)N1CCC(C)(C)CC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is IGKSGEUCFWOUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F2N2O3/c1-15(2)19(27)25-18(20(28)26-12-10-21(4,5)11-13-26)16(3)29-14-17-6-8-22(23,24)9-7-17/h15-18H,6-14H2,1-5H3,(H,25,27).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 416.55 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 171593699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).