6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one

C25H27F3N4O2 — CID 170763292

IUPAC6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one
SMILESCc1cc(OCc2ncccn2)cc(=O)n1C(C)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H27F3N4O2/c1-17-14-22(34-16-23-29-10-3-11-30-23)15-24(33)32(17)18(2)19-8-12-31(13-9-19)21-6-4-20(5-7-21)25(26,27)28/h3-7,10-11,14-15,18-19H,8-9,12-13,16H2,1-2H3
InChIKeyNMJYARJLUULVHP-UHFFFAOYSA-N
MW472.51 g/mol
LogP5.02
Rot. Bonds6

About 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one

6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one (PubChem CID 170763292) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one
PubChem CID170763292
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC Name6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one
SMILESCc1cc(OCc2ncccn2)cc(=O)n1C(C)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H27F3N4O2/c1-17-14-22(34-16-23-29-10-3-11-30-23)15-24(33)32(17)18(2)19-8-12-31(13-9-19)21-6-4-20(5-7-21)25(26,27)28/h3-7,10-11,14-15,18-19H,8-9,12-13,16H2,1-2H3
InChIKeyNMJYARJLUULVHP-UHFFFAOYSA-N
XLogP5.02
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-1-[(1R)-1-phenylethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 167175771
N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine
CID 63854243
1-[1-[5-(2-cyclopropylethynyl)pyrimidin-2-yl]ethyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 164856645
6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 170763377
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 154035549
4-[[2-methyl-6-oxo-4-(pyrimidin-2-ylmethoxy)-1-pyridinyl]methyl]benzonitrile
CID 164856063
ethyl 2-[[2-[1-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-4-yl]acetyl]amino]propanoate
CID 58869909
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-(pyrimidin-4-ylmethoxy)pyridin-2-one;propane
CID 164856459
1-[2-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;ethane
CID 164856529
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758340

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one?
The IUPAC name of 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one (CID 170763292) is 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one?
The canonical SMILES for 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one is Cc1cc(OCc2ncccn2)cc(=O)n1C(C)C1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one?
The InChIKey is NMJYARJLUULVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-17-14-22(34-16-23-29-10-3-11-30-23)15-24(33)32(17)18(2)19-8-12-31(13-9-19)21-6-4-20(5-7-21)25(26,27)28/h3-7,10-11,14-15,18-19H,8-9,12-13,16H2,1-2H3.
What are the key properties of 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one?
6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one has a molecular weight of 472.51 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 170763292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).