N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide

C31H34F3N5O2S — CID 143884507

IUPACN-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(CCCN2CCC(NC(=O)c3cnc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)s3)CC2)cc1
InChIInChI=1S/C31H34F3N5O2S/c32-31(33,34)24-7-9-26(10-8-24)39-18-13-27(14-19-39)41-30-36-21-28(42-30)29(40)37-25-11-16-38(17-12-25)15-1-2-22-3-5-23(20-35)6-4-22/h3-10,21,25,27H,1-2,11-19H2,(H,37,40)
InChIKeyDUPFUFLFABHOGM-UHFFFAOYSA-N
MW597.71 g/mol
LogP5.91
Rot. Bonds9

About N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide

N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide (PubChem CID 143884507) has the molecular formula C31H34F3N5O2S and a molecular weight of 597.71 g/mol. Its IUPAC name is N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
PubChem CID143884507
Molecular FormulaC31H34F3N5O2S
Molecular Weight597.71 g/mol
Exact Mass597.24
IUPAC NameN-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(CCCN2CCC(NC(=O)c3cnc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)s3)CC2)cc1
InChIInChI=1S/C31H34F3N5O2S/c32-31(33,34)24-7-9-26(10-8-24)39-18-13-27(14-19-39)41-30-36-21-28(42-30)29(40)37-25-11-16-38(17-12-25)15-1-2-22-3-5-23(20-35)6-4-22/h3-10,21,25,27H,1-2,11-19H2,(H,37,40)
InChIKeyDUPFUFLFABHOGM-UHFFFAOYSA-N
XLogP5.91
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.71
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide (CID 143884507) is N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide is N#Cc1ccc(CCCN2CCC(NC(=O)c3cnc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)s3)CC2)cc1.
What is the InChIKey of N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide?
The InChIKey is DUPFUFLFABHOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O2S/c32-31(33,34)24-7-9-26(10-8-24)39-18-13-27(14-19-39)41-30-36-21-28(42-30)29(40)37-25-11-16-38(17-12-25)15-1-2-22-3-5-23(20-35)6-4-22/h3-10,21,25,27H,1-2,11-19H2,(H,37,40).
What are the key properties of N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide?
N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide has a molecular weight of 597.71 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-cyanophenyl)propyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143884507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).