pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone

C23H27F3N4O — CID 142654869

IUPACpyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(N2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C23H27F3N4O/c24-23(25,26)20-6-2-1-5-18(20)17-28-13-15-29(16-14-28)19-8-11-30(12-9-19)22(31)21-7-3-4-10-27-21/h1-7,10,19H,8-9,11-17H2
InChIKeyJONMRYYFMLXMGV-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.52
Rot. Bonds4

About pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone

pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 142654869) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID142654869
Molecular FormulaC23H27F3N4O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Namepyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(N2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C23H27F3N4O/c24-23(25,26)20-6-2-1-5-18(20)17-28-13-15-29(16-14-28)19-8-11-30(12-9-19)22(31)21-7-3-4-10-27-21/h1-7,10,19H,8-9,11-17H2
InChIKeyJONMRYYFMLXMGV-UHFFFAOYSA-N
XLogP3.52
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 142654868
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
N-[(E)-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylideneamino]pyridine-2-carboxamide
CID 155674313
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 131897535
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
CID 171691368
pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 695033
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 28634915
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone (CID 142654869) is pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone is O=C(c1ccccn1)N1CCC(N2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is JONMRYYFMLXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O/c24-23(25,26)20-6-2-1-5-18(20)17-28-13-15-29(16-14-28)19-8-11-30(12-9-19)22(31)21-7-3-4-10-27-21/h1-7,10,19H,8-9,11-17H2.
What are the key properties of pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone?
pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 432.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 142654869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).