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

C22H27F3N4O2 — CID 90925730

IUPAC2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCc1cc(C)nc(OC(C)C(=O)NC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H27F3N4O2/c1-14-12-15(2)27-21(26-14)31-16(3)20(30)28-19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)22(23,24)25/h4-7,12,16,19H,8-11,13H2,1-3H3,(H,28,30)
InChIKeyYHTVHVQRLCNGQD-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.66
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 90925730) 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-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID90925730
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCc1cc(C)nc(OC(C)C(=O)NC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H27F3N4O2/c1-14-12-15(2)27-21(26-14)31-16(3)20(30)28-19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)22(23,24)25/h4-7,12,16,19H,8-11,13H2,1-3H3,(H,28,30)
InChIKeyYHTVHVQRLCNGQD-UHFFFAOYSA-N
XLogP3.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 91433559
2-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 59336139
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 90832663
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
2-methyl-N-[1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]propanamide
CID 55739060
N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 68869568
N-[1-[[4-[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]imidazolidine-2-carbonyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 87887179
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 90925730) is 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is Cc1cc(C)nc(OC(C)C(=O)NC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is YHTVHVQRLCNGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-14-12-15(2)27-21(26-14)31-16(3)20(30)28-19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)22(23,24)25/h4-7,12,16,19H,8-11,13H2,1-3H3,(H,28,30).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 436.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 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-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 90925730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).