N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C25H22F3N3O3 — CID 127044249

IUPACN-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-1-4-17(14-19)23(32)30-20-7-2-8-22(15-20)34-21-9-12-31(13-10-21)24(33)18-5-3-11-29-16-18/h1-8,11,14-16,21H,9-10,12-13H2,(H,30,32)
InChIKeyWFQTULIGDBCXQR-UHFFFAOYSA-N
MW469.46 g/mol
LogP5.04
Rot. Bonds5

About N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 127044249) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID127044249
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC NameN-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-1-4-17(14-19)23(32)30-20-7-2-8-22(15-20)34-21-9-12-31(13-10-21)24(33)18-5-3-11-29-16-18/h1-8,11,14-16,21H,9-10,12-13H2,(H,30,32)
InChIKeyWFQTULIGDBCXQR-UHFFFAOYSA-N
XLogP5.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 127044249) is N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WFQTULIGDBCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-1-4-17(14-19)23(32)30-20-7-2-8-22(15-20)34-21-9-12-31(13-10-21)24(33)18-5-3-11-29-16-18/h1-8,11,14-16,21H,9-10,12-13H2,(H,30,32).
What are the key properties of N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 469.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127044249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).