(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide

C21H27F3N4OSi — CID 51349069

IUPAC(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1cccc([Si](C)(C)C)c1
InChIInChI=1S/C21H27F3N4OSi/c1-15-14-27(19-18(21(22,23)24)9-6-10-25-19)11-12-28(15)20(29)26-16-7-5-8-17(13-16)30(2,3)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,26,29)/t15-/m1/s1
InChIKeyCYPYLXYMKFQQLY-OAHLLOKOSA-N
MW436.55 g/mol
LogP4.39
Rot. Bonds3

About (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide

(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide (PubChem CID 51349069) has the molecular formula C21H27F3N4OSi and a molecular weight of 436.55 g/mol. Its IUPAC name is (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide
PubChem CID51349069
Molecular FormulaC21H27F3N4OSi
Molecular Weight436.55 g/mol
Exact Mass436.19
IUPAC Name(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1cccc([Si](C)(C)C)c1
InChIInChI=1S/C21H27F3N4OSi/c1-15-14-27(19-18(21(22,23)24)9-6-10-25-19)11-12-28(15)20(29)26-16-7-5-8-17(13-16)30(2,3)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,26,29)/t15-/m1/s1
InChIKeyCYPYLXYMKFQQLY-OAHLLOKOSA-N
XLogP4.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide?
The IUPAC name of (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide (CID 51349069) is (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide is C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1cccc([Si](C)(C)C)c1.
What is the InChIKey of (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide?
The InChIKey is CYPYLXYMKFQQLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27F3N4OSi/c1-15-14-27(19-18(21(22,23)24)9-6-10-25-19)11-12-28(15)20(29)26-16-7-5-8-17(13-16)30(2,3)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,26,29)/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide?
(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51349069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).