N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide

C22H35F5N2O4 — CID 171593725

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCCC(COC(F)(F)F)C1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C22H35F5N2O4/c1-14(2)19(30)28-18(15(3)32-12-16-6-8-21(23,24)9-7-16)20(31)29-10-4-5-17(11-29)13-33-22(25,26)27/h14-18H,4-13H2,1-3H3,(H,28,30)
InChIKeyQOBKVWSJRGMRKO-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.13
Rot. Bonds9

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide (PubChem CID 171593725) has the molecular formula C22H35F5N2O4 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide
PubChem CID171593725
Molecular FormulaC22H35F5N2O4
Molecular Weight486.52 g/mol
Exact Mass486.25
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCCC(COC(F)(F)F)C1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C22H35F5N2O4/c1-14(2)19(30)28-18(15(3)32-12-16-6-8-21(23,24)9-7-16)20(31)29-10-4-5-17(11-29)13-33-22(25,26)27/h14-18H,4-13H2,1-3H3,(H,28,30)
InChIKeyQOBKVWSJRGMRKO-UHFFFAOYSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-amino-3-(oxan-4-ylmethoxy)-1-[(3S)-3-(trifluoromethoxymethyl)piperidin-1-yl]butan-1-one
CID 171593711
ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
CID 171594312
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
(2R,3R)-2-amino-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-[(3S)-3-(trifluoromethoxymethyl)piperidin-1-yl]butan-1-one
CID 175981419
N-[1-[3-(difluoromethoxymethyl)piperidin-1-yl]-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane
CID 164604464
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide
CID 170757934
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 171594285
N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide
CID 171593978
N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
CID 171593689

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide (CID 171593725) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C(=O)N1CCCC(COC(F)(F)F)C1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide?
The InChIKey is QOBKVWSJRGMRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F5N2O4/c1-14(2)19(30)28-18(15(3)32-12-16-6-8-21(23,24)9-7-16)20(31)29-10-4-5-17(11-29)13-33-22(25,26)27/h14-18H,4-13H2,1-3H3,(H,28,30).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide has a molecular weight of 486.52 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 171593725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).