(2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C19H20F3N3O — CID 4879345

IUPAC(2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1
InChIInChI=1S/C19H20F3N3O/c1-13-3-5-16(14(2)11-13)18(26)25-9-7-24(8-10-25)17-6-4-15(12-23-17)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJQZXAFCQUPVNCR-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.68
Rot. Bonds2

About (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 4879345) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID4879345
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1
InChIInChI=1S/C19H20F3N3O/c1-13-3-5-16(14(2)11-13)18(26)25-9-7-24(8-10-25)17-6-4-15(12-23-17)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJQZXAFCQUPVNCR-UHFFFAOYSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Azaperone
CID 15443
Netupitant
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Befetupitant
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Piketoprofen
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N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865
4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
Imnopitant
CID 9808518
3-(2-(6-aminopyridin-3-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109023
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941
[4-[6-Amino-5-[4-(trifluoromethyl)phenyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 53311133
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
Cinuperone
CID 133832

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 4879345) is (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is JQZXAFCQUPVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-13-3-5-16(14(2)11-13)18(26)25-9-7-24(8-10-25)17-6-4-15(12-23-17)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 363.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 4879345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).