N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide

C18H28F4N2O3 — CID 164605028

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H28F4N2O3/c1-12(27-11-14-3-5-17(19,20)6-4-14)15(23-13(2)25)16(26)24-9-7-18(21,22)8-10-24/h12,14-15H,3-11H2,1-2H3,(H,23,25)
InChIKeyCTLOKMLQYCNZGD-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.98
Rot. Bonds6

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

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide (PubChem CID 164605028) has the molecular formula C18H28F4N2O3 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
PubChem CID164605028
Molecular FormulaC18H28F4N2O3
Molecular Weight396.43 g/mol
Exact Mass396.20
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H28F4N2O3/c1-12(27-11-14-3-5-17(19,20)6-4-14)15(23-13(2)25)16(26)24-9-7-18(21,22)8-10-24/h12,14-15H,3-11H2,1-2H3,(H,23,25)
InChIKeyCTLOKMLQYCNZGD-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide
CID 171593725
2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 174329363
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 171594285
N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170758965
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
CID 164604737
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
N-[1-[3-(difluoromethoxymethyl)piperidin-1-yl]-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane
CID 164604464
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
methyl (2S)-2-acetamido-3-(4,4-difluorocyclohexyl)propanoate
CID 138628336
N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 170758371
N-[3-(1-cyclohexylethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 164604068

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide (CID 164605028) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The InChIKey is CTLOKMLQYCNZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F4N2O3/c1-12(27-11-14-3-5-17(19,20)6-4-14)15(23-13(2)25)16(26)24-9-7-18(21,22)8-10-24/h12,14-15H,3-11H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 2.98, 6 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-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 164605028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).