anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C25H20F3N3O — CID 10410706

IUPACanthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C25H20F3N3O/c26-25(27,28)19-9-10-29-22(16-19)30-11-13-31(14-12-30)24(32)23-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)23/h1-10,15-16H,11-14H2
InChIKeyQWOXZLKAOVEPFT-UHFFFAOYSA-N
MW435.45 g/mol
LogP5.37
Rot. Bonds2

About anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 10410706) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameanthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID10410706
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC Nameanthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C25H20F3N3O/c26-25(27,28)19-9-10-29-22(16-19)30-11-13-31(14-12-30)24(32)23-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)23/h1-10,15-16H,11-14H2
InChIKeyQWOXZLKAOVEPFT-UHFFFAOYSA-N
XLogP5.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-1,2-thiazol-3-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 154857579
(3-methylphenyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 133335211
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 11741241
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 133358979
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 129171739
4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclohexan-1-one
CID 143492784
N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 133358312
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate
CID 27012435
(1,5-dimethylpyrazol-4-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone;formic acid
CID 154919125

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 10410706) is anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1c2ccccc2cc2ccccc12)N1CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is QWOXZLKAOVEPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O/c26-25(27,28)19-9-10-29-22(16-19)30-11-13-31(14-12-30)24(32)23-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)23/h1-10,15-16H,11-14H2.
What are the key properties of anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 435.45 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 10410706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).