N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide

C20H34F2N2O3 — CID 170757786

IUPACN-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCCCC1
InChIInChI=1S/C20H34F2N2O3/c1-14(2)18(25)23-17(15(3)27-13-16-7-5-4-6-8-16)19(26)24-11-9-20(21,22)10-12-24/h14-17H,4-13H2,1-3H3,(H,23,25)
InChIKeyQGWOOOXTVZFGMD-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.37
Rot. Bonds7

About N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide

N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 170757786) has the molecular formula C20H34F2N2O3 and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID170757786
Molecular FormulaC20H34F2N2O3
Molecular Weight388.50 g/mol
Exact Mass388.25
IUPAC NameN-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCCCC1
InChIInChI=1S/C20H34F2N2O3/c1-14(2)18(25)23-17(15(3)27-13-16-7-5-4-6-8-16)19(26)24-11-9-20(21,22)10-12-24/h14-17H,4-13H2,1-3H3,(H,23,25)
InChIKeyQGWOOOXTVZFGMD-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide (CID 170757786) is N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is QGWOOOXTVZFGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2N2O3/c1-14(2)18(25)23-17(15(3)27-13-16-7-5-4-6-8-16)19(26)24-11-9-20(21,22)10-12-24/h14-17H,4-13H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 388.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 170757786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).