[4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C26H34F3N3O2 — CID 24948320

IUPAC[4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H34F3N3O2/c1-19(2)31-15-17-32(18-16-31)25(33)21-7-5-20(6-8-21)24(13-14-30(3)4)34-23-11-9-22(10-12-23)26(27,28)29/h5-12,19,24H,13-18H2,1-4H3
InChIKeyIVJLIFNDWFYVMA-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.94
Rot. Bonds8

About [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24948320) has the molecular formula C26H34F3N3O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24948320
Molecular FormulaC26H34F3N3O2
Molecular Weight477.57 g/mol
Exact Mass477.26
IUPAC Name[4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H34F3N3O2/c1-19(2)31-15-17-32(18-16-31)25(33)21-7-5-20(6-8-21)24(13-14-30(3)4)34-23-11-9-22(10-12-23)26(27,28)29/h5-12,19,24H,13-18H2,1-4H3
InChIKeyIVJLIFNDWFYVMA-UHFFFAOYSA-N
XLogP4.94
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24948320) is [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is IVJLIFNDWFYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N3O2/c1-19(2)31-15-17-32(18-16-31)25(33)21-7-5-20(6-8-21)24(13-14-30(3)4)34-23-11-9-22(10-12-23)26(27,28)29/h5-12,19,24H,13-18H2,1-4H3.
What are the key properties of [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 477.57 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)-1-[4-(trifluoromethyl)phenoxy]propyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24948320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).