3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

C26H26F3N3O3 — CID 55708637

IUPAC3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H26F3N3O3/c1-34-23-15-19(7-9-22(23)35-17-18-5-3-2-4-6-18)25(33)31-21-11-13-32(14-12-21)24-10-8-20(16-30-24)26(27,28)29/h2-10,15-16,21H,11-14,17H2,1H3,(H,31,33)
InChIKeyKRLYNOKZDXTDDJ-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.09
Rot. Bonds7

About 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 55708637) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
PubChem CID55708637
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC Name3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H26F3N3O3/c1-34-23-15-19(7-9-22(23)35-17-18-5-3-2-4-6-18)25(33)31-21-11-13-32(14-12-21)24-10-8-20(16-30-24)26(27,28)29/h2-10,15-16,21H,11-14,17H2,1H3,(H,31,33)
InChIKeyKRLYNOKZDXTDDJ-UHFFFAOYSA-N
XLogP5.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46474744
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
CID 55776583
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135
tert-butyl N-[1-oxo-3-phenyl-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]propan-2-yl]carbamate
CID 55962083

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (CID 55708637) is 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is COc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The InChIKey is KRLYNOKZDXTDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-34-23-15-19(7-9-22(23)35-17-18-5-3-2-4-6-18)25(33)31-21-11-13-32(14-12-21)24-10-8-20(16-30-24)26(27,28)29/h2-10,15-16,21H,11-14,17H2,1H3,(H,31,33).
What are the key properties of 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 485.51 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55708637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).