[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone

C24H28F3N3O2 — CID 55652403

IUPAC[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-3-28(4-2)17-18-9-11-19(12-10-18)22(31)29-13-15-30(16-14-29)23(32)20-7-5-6-8-21(20)24(25,26)27/h5-12H,3-4,13-17H2,1-2H3
InChIKeyJDCPGCDFGDIAAA-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.15
Rot. Bonds6

About [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone

[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone (PubChem CID 55652403) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
PubChem CID55652403
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-3-28(4-2)17-18-9-11-19(12-10-18)22(31)29-13-15-30(16-14-29)23(32)20-7-5-6-8-21(20)24(25,26)27/h5-12H,3-4,13-17H2,1-2H3
InChIKeyJDCPGCDFGDIAAA-UHFFFAOYSA-N
XLogP4.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108547591
(4-fluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108544244
(3,4-difluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 46424509
N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 46415747
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55558490
4-(benzenesulfinyl)benzoic acid;1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 123159679
(2-ethylsulfanyl-4-pyridinyl)-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55996701
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
butyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569491
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71940503
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone (CID 55652403) is [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone is CCN(CC)Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is JDCPGCDFGDIAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-3-28(4-2)17-18-9-11-19(12-10-18)22(31)29-13-15-30(16-14-29)23(32)20-7-5-6-8-21(20)24(25,26)27/h5-12H,3-4,13-17H2,1-2H3.
What are the key properties of [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 447.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55652403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).