(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C19H28F3N3O2+2 — CID 9466791

IUPAC(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CC[NH+](C[C@H]2CCCO2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-14(18(26)23-16-6-4-15(5-7-16)19(20,21)22)25-10-8-24(9-11-25)13-17-3-2-12-27-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,23,26)/p+2/t14-,17-/m1/s1
InChIKeyOJMOSZFVTMGEMY-RHSMWYFYSA-P
MW387.45 g/mol
LogP-0.01
Rot. Bonds5

About (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 9466791) has the molecular formula C19H28F3N3O2+2 and a molecular weight of 387.45 g/mol. Its IUPAC name is (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID9466791
Molecular FormulaC19H28F3N3O2+2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CC[NH+](C[C@H]2CCCO2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-14(18(26)23-16-6-4-15(5-7-16)19(20,21)22)25-10-8-24(9-11-25)13-17-3-2-12-27-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,23,26)/p+2/t14-,17-/m1/s1
InChIKeyOJMOSZFVTMGEMY-RHSMWYFYSA-P
XLogP-0.01
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 9268351
(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 8007340
(2R)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 8007336
(2S)-N-benzhydryl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9321906
(2R)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 9466788
1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134500
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725347
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
(2R)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8994151
(2R)-N-(2,5-dimethylphenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-2-phenylacetamide
CID 8010689

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 9466791) is (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CC[NH+](C[C@H]2CCCO2)CC1.
What is the InChIKey of (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OJMOSZFVTMGEMY-RHSMWYFYSA-P. The full InChI is InChI=1S/C19H26F3N3O2/c1-14(18(26)23-16-6-4-15(5-7-16)19(20,21)22)25-10-8-24(9-11-25)13-17-3-2-12-27-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,23,26)/p+2/t14-,17-/m1/s1.
What are the key properties of (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 387.45 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 9466791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).