[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

C24H23F3N4O2 — CID 38602896

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H23F3N4O2/c1-33-20-8-3-7-19(16-20)30-11-13-31(14-12-30)23(32)21-9-4-10-28-22(21)29-18-6-2-5-17(15-18)24(25,26)27/h2-10,15-16H,11-14H2,1H3,(H,28,29)
InChIKeyDWFVDGGVAKLVSL-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.82
Rot. Bonds5

About [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (PubChem CID 38602896) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
PubChem CID38602896
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H23F3N4O2/c1-33-20-8-3-7-19(16-20)30-11-13-31(14-12-30)23(32)21-9-4-10-28-22(21)29-18-6-2-5-17(15-18)24(25,26)27/h2-10,15-16H,11-14H2,1H3,(H,28,29)
InChIKeyDWFVDGGVAKLVSL-UHFFFAOYSA-N
XLogP4.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(4-nitrophenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 26199826
2-[4-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55460419
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 119576762
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
ethyl N-[1-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperidin-3-yl]carbamate
CID 55844206
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
CID 46974434

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (CID 38602896) is [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is COc1cccc(N2CCN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The InChIKey is DWFVDGGVAKLVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-33-20-8-3-7-19(16-20)30-11-13-31(14-12-30)23(32)21-9-4-10-28-22(21)29-18-6-2-5-17(15-18)24(25,26)27/h2-10,15-16H,11-14H2,1H3,(H,28,29).
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone has a molecular weight of 456.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is sourced from PubChem (CID 38602896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).