(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone

C23H20F3N3O — CID 15950861

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H20F3N3O/c24-23(25,26)20-10-8-18(9-11-20)17-4-6-19(7-5-17)22(30)29-15-13-28(14-16-29)21-3-1-2-12-27-21/h1-12H,13-16H2
InChIKeyXIUHRLDUSZSTLY-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.73
Rot. Bonds3

About (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 15950861) has the molecular formula C23H20F3N3O and a molecular weight of 411.43 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID15950861
Molecular FormulaC23H20F3N3O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H20F3N3O/c24-23(25,26)20-10-8-18(9-11-20)17-4-6-19(7-5-17)22(30)29-15-13-28(14-16-29)21-3-1-2-12-27-21/h1-12H,13-16H2
InChIKeyXIUHRLDUSZSTLY-UHFFFAOYSA-N
XLogP4.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121058164
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(4-pyrimidin-2-ylpiperazin-1-yl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanone
CID 68702242
(E)-3-pyridin-2-yl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]prop-2-en-1-one
CID 87024792
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 15950861) is (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is XIUHRLDUSZSTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O/c24-23(25,26)20-10-8-18(9-11-20)17-4-6-19(7-5-17)22(30)29-15-13-28(14-16-29)21-3-1-2-12-27-21/h1-12H,13-16H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 411.43 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 15950861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).