N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

C26H24F3N3O2 — CID 66762085

IUPACN-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESCc1cnccc1C(=O)N1CC(NC(=O)c2ccccc2)CC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C26H24F3N3O2/c1-17-14-30-12-11-23(17)25(34)32-15-20(18-7-9-21(10-8-18)26(27,28)29)13-22(16-32)31-24(33)19-5-3-2-4-6-19/h2-12,14,20,22H,13,15-16H2,1H3,(H,31,33)
InChIKeyKJAPRLKPXGTVRZ-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.84
Rot. Bonds4

About N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (PubChem CID 66762085) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
PubChem CID66762085
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC NameN-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESCc1cnccc1C(=O)N1CC(NC(=O)c2ccccc2)CC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C26H24F3N3O2/c1-17-14-30-12-11-23(17)25(34)32-15-20(18-7-9-21(10-8-18)26(27,28)29)13-22(16-32)31-24(33)19-5-3-2-4-6-19/h2-12,14,20,22H,13,15-16H2,1H3,(H,31,33)
InChIKeyKJAPRLKPXGTVRZ-UHFFFAOYSA-N
XLogP4.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The IUPAC name of N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (CID 66762085) is N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is Cc1cnccc1C(=O)N1CC(NC(=O)c2ccccc2)CC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The InChIKey is KJAPRLKPXGTVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-17-14-30-12-11-23(17)25(34)32-15-20(18-7-9-21(10-8-18)26(27,28)29)13-22(16-32)31-24(33)19-5-3-2-4-6-19/h2-12,14,20,22H,13,15-16H2,1H3,(H,31,33).
What are the key properties of N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide has a molecular weight of 467.49 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 66762085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).