N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide

C32H34F3N3O5 — CID 66710373

IUPACN-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H34F3N3O5/c1-41-24-11-13-27(14-12-24)42-26-9-5-23(6-10-26)37-30(39)29-15-2-21(20-36-29)31(40)38-18-16-28(17-19-38)43-25-7-3-22(4-8-25)32(33,34)35/h2-4,7-8,11-15,20,23,26,28H,5-6,9-10,16-19H2,1H3,(H,37,39)
InChIKeyQKTLBWHRMYOPPU-UHFFFAOYSA-N
MW597.63 g/mol
LogP5.91
Rot. Bonds8

About N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide

N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710373) has the molecular formula C32H34F3N3O5 and a molecular weight of 597.63 g/mol. Its IUPAC name is N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710373
Molecular FormulaC32H34F3N3O5
Molecular Weight597.63 g/mol
Exact Mass597.25
IUPAC NameN-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H34F3N3O5/c1-41-24-11-13-27(14-12-24)42-26-9-5-23(6-10-26)37-30(39)29-15-2-21(20-36-29)31(40)38-18-16-28(17-19-38)43-25-7-3-22(4-8-25)32(33,34)35/h2-4,7-8,11-15,20,23,26,28H,5-6,9-10,16-19H2,1H3,(H,37,39)
InChIKeyQKTLBWHRMYOPPU-UHFFFAOYSA-N
XLogP5.91
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.63
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710218
5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 123277304
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710844
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676198
5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134300171
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710372
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 58073163

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710373) is N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide is COc1ccc(OC2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is QKTLBWHRMYOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O5/c1-41-24-11-13-27(14-12-24)42-26-9-5-23(6-10-26)37-30(39)29-15-2-21(20-36-29)31(40)38-18-16-28(17-19-38)43-25-7-3-22(4-8-25)32(33,34)35/h2-4,7-8,11-15,20,23,26,28H,5-6,9-10,16-19H2,1H3,(H,37,39).
What are the key properties of N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 597.63 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).