N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide

C26H27F3N4O2 — CID 42272636

IUPACN-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C26H27F3N4O2/c27-26(28,29)35-24-5-1-3-19(15-24)17-31-22-10-13-33(14-11-22)23-8-6-21(7-9-23)25(34)32-18-20-4-2-12-30-16-20/h1-9,12,15-16,22,31H,10-11,13-14,17-18H2,(H,32,34)
InChIKeyWQFYCFFNKDIRNM-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.67
Rot. Bonds8

About N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide

N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide (PubChem CID 42272636) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide
PubChem CID42272636
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC NameN-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C26H27F3N4O2/c27-26(28,29)35-24-5-1-3-19(15-24)17-31-22-10-13-33(14-11-22)23-8-6-21(7-9-23)25(34)32-18-20-4-2-12-30-16-20/h1-9,12,15-16,22,31H,10-11,13-14,17-18H2,(H,32,34)
InChIKeyWQFYCFFNKDIRNM-UHFFFAOYSA-N
XLogP4.67
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide (CID 42272636) is N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide is O=C(NCc1cccnc1)c1ccc(N2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide?
The InChIKey is WQFYCFFNKDIRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c27-26(28,29)35-24-5-1-3-19(15-24)17-31-22-10-13-33(14-11-22)23-8-6-21(7-9-23)25(34)32-18-20-4-2-12-30-16-20/h1-9,12,15-16,22,31H,10-11,13-14,17-18H2,(H,32,34).
What are the key properties of N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide?
N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide has a molecular weight of 484.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-[4-[[3-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42272636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).