N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide

C23H25F3N2O3 — CID 127044107

IUPACN-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCCC(=O)N1CCC(Oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)CC1
InChIInChI=1S/C23H25F3N2O3/c1-3-21(29)28-11-9-19(10-12-28)31-20-14-18(8-7-15(20)2)27-22(30)16-5-4-6-17(13-16)23(24,25)26/h4-8,13-14,19H,3,9-12H2,1-2H3,(H,27,30)
InChIKeyKDOKQNJIYNAGEQ-UHFFFAOYSA-N
MW434.46 g/mol
LogP5.05
Rot. Bonds5

About N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 127044107) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID127044107
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC NameN-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCCC(=O)N1CCC(Oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)CC1
InChIInChI=1S/C23H25F3N2O3/c1-3-21(29)28-11-9-19(10-12-28)31-20-14-18(8-7-15(20)2)27-22(30)16-5-4-6-17(13-16)23(24,25)26/h4-8,13-14,19H,3,9-12H2,1-2H3,(H,27,30)
InChIKeyKDOKQNJIYNAGEQ-UHFFFAOYSA-N
XLogP5.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide (CID 127044107) is N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide is CCC(=O)N1CCC(Oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)CC1.
What is the InChIKey of N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KDOKQNJIYNAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-3-21(29)28-11-9-19(10-12-28)31-20-14-18(8-7-15(20)2)27-22(30)16-5-4-6-17(13-16)23(24,25)26/h4-8,13-14,19H,3,9-12H2,1-2H3,(H,27,30).
What are the key properties of N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 434.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127044107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).