5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide

C32H35F3N4O4 — CID 146676202

IUPAC5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cccc(OC(F)(F)F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C32H35F3N4O4/c1-22-5-8-26(9-6-22)42-27-13-17-39(18-14-27)31(41)24-7-10-29(36-20-24)30(40)37-25-11-15-38(16-12-25)21-23-3-2-4-28(19-23)43-32(33,34)35/h2-10,19-20,25,27H,11-18,21H2,1H3,(H,37,40)
InChIKeyNMFZGXPEWYDHKX-UHFFFAOYSA-N
MW596.65 g/mol
LogP5.37
Rot. Bonds8

About 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide

5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 146676202) has the molecular formula C32H35F3N4O4 and a molecular weight of 596.65 g/mol. Its IUPAC name is 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID146676202
Molecular FormulaC32H35F3N4O4
Molecular Weight596.65 g/mol
Exact Mass596.26
IUPAC Name5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cccc(OC(F)(F)F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C32H35F3N4O4/c1-22-5-8-26(9-6-22)42-27-13-17-39(18-14-27)31(41)24-7-10-29(36-20-24)30(40)37-25-11-15-38(16-12-25)21-23-3-2-4-28(19-23)43-32(33,34)35/h2-10,19-20,25,27H,11-18,21H2,1H3,(H,37,40)
InChIKeyNMFZGXPEWYDHKX-UHFFFAOYSA-N
XLogP5.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.65
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 146676202) is 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide is Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cccc(OC(F)(F)F)c5)CC4)nc3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is NMFZGXPEWYDHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N4O4/c1-22-5-8-26(9-6-22)42-27-13-17-39(18-14-27)31(41)24-7-10-29(36-20-24)30(40)37-25-11-15-38(16-12-25)21-23-3-2-4-28(19-23)43-32(33,34)35/h2-10,19-20,25,27H,11-18,21H2,1H3,(H,37,40).
What are the key properties of 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 596.65 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146676202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).