methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C47H62F6N8O4 — CID 159275094

IUPACmethane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC.Cc1ncccc1[C@@H]1CNCC[C@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F.Cc1ncccc1[C@H]1CNCC[C@@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/2C23H29F3N4O2.CH4/c2*1-15-16(7-5-10-28-15)17-13-27-12-9-19(17)30(4)21(31)22(2,3)14-32-20-18(23(24,25)26)8-6-11-29-20;/h2*5-8,10-11,17,19,27H,9,12-14H2,1-4H3;1H4/t2*17-,19+;/m10./s1
InChIKeyKYFBMGNBXZIDIP-JWPBKWQVSA-N
MW917.05 g/mol
LogP8.26
Rot. Bonds12

About methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 159275094) has the molecular formula C47H62F6N8O4 and a molecular weight of 917.05 g/mol. Its IUPAC name is methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Namemethane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID159275094
Molecular FormulaC47H62F6N8O4
Molecular Weight917.05 g/mol
Exact Mass916.48
IUPAC Namemethane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC.Cc1ncccc1[C@@H]1CNCC[C@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F.Cc1ncccc1[C@H]1CNCC[C@@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/2C23H29F3N4O2.CH4/c2*1-15-16(7-5-10-28-15)17-13-27-12-9-19(17)30(4)21(31)22(2,3)14-32-20-18(23(24,25)26)8-6-11-29-20;/h2*5-8,10-11,17,19,27H,9,12-14H2,1-4H3;1H4/t2*17-,19+;/m10./s1
InChIKeyKYFBMGNBXZIDIP-JWPBKWQVSA-N
XLogP8.26
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.05
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide with MolForge

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Related Compounds

US11045457, Example 110
CID 146401856
US11045457, Example 161
CID 146401887
US11045457, Example 157
CID 146401932
US11045457, Example 209
CID 146402430
US11045457, Example 33
CID 146422009
US11045457, Example 139
CID 146401826
US11045457, Example 105
CID 146401832
US11045457, Example 211
CID 146401865
US11045457, Example 160
CID 146401890
US11045457, Example 176
CID 146401896
US11045457, Example 155
CID 146401941
US11045457, Example 111
CID 146401961

Frequently Asked Questions

What is the IUPAC name of methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 159275094) is methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is C.Cc1ncccc1[C@@H]1CNCC[C@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F.Cc1ncccc1[C@H]1CNCC[C@@H]1N(C)C(=O)C(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is KYFBMGNBXZIDIP-JWPBKWQVSA-N. The full InChI is InChI=1S/2C23H29F3N4O2.CH4/c2*1-15-16(7-5-10-28-15)17-13-27-12-9-19(17)30(4)21(31)22(2,3)14-32-20-18(23(24,25)26)8-6-11-29-20;/h2*5-8,10-11,17,19,27H,9,12-14H2,1-4H3;1H4/t2*17-,19+;/m10./s1.
What are the key properties of methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 917.05 g/mol, XLogP of 8.26, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N,2,2-trimethyl-N-[(3R,4R)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 159275094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).