2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C22H27F3N4O2 — CID 59336139

IUPAC2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1cc(C)nc(OCC(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H27F3N4O2/c1-15-12-16(2)27-21(26-15)31-14-20(30)28(3)19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)22(23,24)25/h4-7,12,19H,8-11,13-14H2,1-3H3
InChIKeyZSISJJHDKBNMQQ-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.61
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 59336139) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID59336139
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1cc(C)nc(OCC(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H27F3N4O2/c1-15-12-16(2)27-21(26-15)31-14-20(30)28(3)19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)22(23,24)25/h4-7,12,19H,8-11,13-14H2,1-3H3
InChIKeyZSISJJHDKBNMQQ-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-(1-benzylpiperidin-4-yl)-N-methylacetamide;methane
CID 159325573
2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 90925730
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 172933883
2-(4-acetamidophenyl)-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70693583
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 60605574
N-methyl-5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456767
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834685
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 59336139) is 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is Cc1cc(C)nc(OCC(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ZSISJJHDKBNMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-15-12-16(2)27-21(26-15)31-14-20(30)28(3)19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)22(23,24)25/h4-7,12,19H,8-11,13-14H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 436.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 59336139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).