methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide

C90H111F9N12O3 — CID 160702549

IUPACmethane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide
SMILESC.C.C.CCC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.CC[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.CC[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/3C29H33F3N4O.3CH4/c3*1-2-23(28(33)37)24-6-4-3-5-22(24)11-12-26-25(29(30,31)32)18-35-27(36-26)17-19-7-9-20(10-8-19)21-13-15-34-16-14-21;;;/h3*3-10,18,21,23,34H,2,11-17H2,1H3,(H2,33,37);3*1H4/t2*23-;;;;/m10..../s1
InChIKeyRQUPDWXCQQWMDL-VQIXRDNSSA-N
MW1579.94 g/mol
LogP17.86
Rot. Bonds27

About methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide

methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide (PubChem CID 160702549) has the molecular formula C90H111F9N12O3 and a molecular weight of 1579.94 g/mol. Its IUPAC name is methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide.

Molecular Properties

Compound Namemethane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide
PubChem CID160702549
Molecular FormulaC90H111F9N12O3
Molecular Weight1579.94 g/mol
Exact Mass1578.88
IUPAC Namemethane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide
SMILESC.C.C.CCC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.CC[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.CC[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/3C29H33F3N4O.3CH4/c3*1-2-23(28(33)37)24-6-4-3-5-22(24)11-12-26-25(29(30,31)32)18-35-27(36-26)17-19-7-9-20(10-8-19)21-13-15-34-16-14-21;;;/h3*3-10,18,21,23,34H,2,11-17H2,1H3,(H2,33,37);3*1H4/t2*23-;;;;/m10..../s1
InChIKeyRQUPDWXCQQWMDL-VQIXRDNSSA-N
XLogP17.86
TPSA242.70 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001579.94
LogP ≤ 517.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide?
The IUPAC name of methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide (CID 160702549) is methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide.
What is the SMILES notation for methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide?
The canonical SMILES for methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide is C.C.C.CCC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.CC[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.CC[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide?
The InChIKey is RQUPDWXCQQWMDL-VQIXRDNSSA-N. The full InChI is InChI=1S/3C29H33F3N4O.3CH4/c3*1-2-23(28(33)37)24-6-4-3-5-22(24)11-12-26-25(29(30,31)32)18-35-27(36-26)17-19-7-9-20(10-8-19)21-13-15-34-16-14-21;;;/h3*3-10,18,21,23,34H,2,11-17H2,1H3,(H2,33,37);3*1H4/t2*23-;;;;/m10..../s1.
What are the key properties of methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide?
methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide has a molecular weight of 1579.94 g/mol, XLogP of 17.86, 27 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;(2S)-2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide;2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide is sourced from PubChem (CID 160702549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).