2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

C23H26ClF3N2O2 — CID 142457657

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H26ClF3N2O2/c1-22(2,31-20-9-7-18(24)8-10-20)21(30)28-19-11-13-29(14-12-19)15-16-3-5-17(6-4-16)23(25,26)27/h3-10,19H,11-15H2,1-2H3,(H,28,30)
InChIKeyIGBPYPPLTMBGBA-UHFFFAOYSA-N
MW454.92 g/mol
LogP5.30
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 142457657) has the molecular formula C23H26ClF3N2O2 and a molecular weight of 454.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID142457657
Molecular FormulaC23H26ClF3N2O2
Molecular Weight454.92 g/mol
Exact Mass454.16
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H26ClF3N2O2/c1-22(2,31-20-9-7-18(24)8-10-20)21(30)28-19-11-13-29(14-12-19)15-16-3-5-17(6-4-16)23(25,26)27/h3-10,19H,11-15H2,1-2H3,(H,28,30)
InChIKeyIGBPYPPLTMBGBA-UHFFFAOYSA-N
XLogP5.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.92
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide with MolForge

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 171343772
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 46682583
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55512787
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 86930849

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 142457657) is 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is IGBPYPPLTMBGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N2O2/c1-22(2,31-20-9-7-18(24)8-10-20)21(30)28-19-11-13-29(14-12-19)15-16-3-5-17(6-4-16)23(25,26)27/h3-10,19H,11-15H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 454.92 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 142457657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).