6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C32H32F3N5O4 — CID 66710640

IUPAC6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H32F3N5O4/c33-32(34,35)44-28-8-3-23(4-9-28)21-39-15-11-25(12-16-39)38-30(41)24-5-10-29(37-20-24)31(42)40-17-13-27(14-18-40)43-26-6-1-22(19-36)2-7-26/h1-10,20,25,27H,11-18,21H2,(H,38,41)
InChIKeyDSZCBNUFKPZERX-UHFFFAOYSA-N
MW607.63 g/mol
LogP4.93
Rot. Bonds8

About 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 66710640) has the molecular formula C32H32F3N5O4 and a molecular weight of 607.63 g/mol. Its IUPAC name is 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID66710640
Molecular FormulaC32H32F3N5O4
Molecular Weight607.63 g/mol
Exact Mass607.24
IUPAC Name6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H32F3N5O4/c33-32(34,35)44-28-8-3-23(4-9-28)21-39-15-11-25(12-16-39)38-30(41)24-5-10-29(37-20-24)31(42)40-17-13-27(14-18-40)43-26-6-1-22(19-36)2-7-26/h1-10,20,25,27H,11-18,21H2,(H,38,41)
InChIKeyDSZCBNUFKPZERX-UHFFFAOYSA-N
XLogP4.93
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.63
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 66710640) is 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DSZCBNUFKPZERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O4/c33-32(34,35)44-28-8-3-23(4-9-28)21-39-15-11-25(12-16-39)38-30(41)24-5-10-29(37-20-24)31(42)40-17-13-27(14-18-40)43-26-6-1-22(19-36)2-7-26/h1-10,20,25,27H,11-18,21H2,(H,38,41).
What are the key properties of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 607.63 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66710640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).