2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C27H29F3N4OS — CID 58429168

IUPAC2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C27H29F3N4OS/c28-27(29,30)25-24(36-26(32-25)34-13-5-2-6-14-34)22(35)17-19-9-10-23(31-18-19)33-15-11-21(12-16-33)20-7-3-1-4-8-20/h1,3-4,7-10,18,21H,2,5-6,11-17H2
InChIKeyVKMRMXQPFFPDIB-UHFFFAOYSA-N
MW514.62 g/mol
LogP6.36
Rot. Bonds6

About 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 58429168) has the molecular formula C27H29F3N4OS and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID58429168
Molecular FormulaC27H29F3N4OS
Molecular Weight514.62 g/mol
Exact Mass514.20
IUPAC Name2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C27H29F3N4OS/c28-27(29,30)25-24(36-26(32-25)34-13-5-2-6-14-34)22(35)17-19-9-10-23(31-18-19)33-15-11-21(12-16-33)20-7-3-1-4-8-20/h1,3-4,7-10,18,21H,2,5-6,11-17H2
InChIKeyVKMRMXQPFFPDIB-UHFFFAOYSA-N
XLogP6.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone with MolForge

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Related Compounds

(4-Amino-2-(6-(trifluoromethyl)pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54585257
(4-Amino-2-(pyridin-2-ylamino)thiazol-5-yl)(3-fluorophenyl)methanone
CID 54587236
(4-Amino-2-(pyridin-2-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54587237
(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-[2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 70696349
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methylpyridin-2-yl)-1,3-thiazol-4-yl]methanone
CID 130341876
N-[5-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-4-methyl-1,3-thiazol-2-yl]-5-fluoropyridin-2-amine
CID 49661095
(4-Amino-2-(pyridin-2-ylamino)thiazol-5-yl)(4-fluorophenyl)methanone
CID 54581339
US9896452, Example 73
CID 89748253
(4-Fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 18525685
1-(4-Fluorobenzoyl)-4-[5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172775
1-(3-Fluorobenzoyl)-4-[5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172783
1-(3,4-Difluorobenzoyl)-4-[5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172784

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 58429168) is 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(Cc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VKMRMXQPFFPDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4OS/c28-27(29,30)25-24(36-26(32-25)34-13-5-2-6-14-34)22(35)17-19-9-10-23(31-18-19)33-15-11-21(12-16-33)20-7-3-1-4-8-20/h1,3-4,7-10,18,21H,2,5-6,11-17H2.
What are the key properties of 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 514.62 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58429168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).