(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C20H28F3N3O2 — CID 98539892

IUPAC(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESC[C@@H]1C[C@H](C)CN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H28F3N3O2/c1-13-9-14(2)11-26(10-13)15(3)19(28)25(4)12-18(27)24-17-8-6-5-7-16(17)20(21,22)23/h5-8,13-15H,9-12H2,1-4H3,(H,24,27)/t13-,14+,15-/m1/s1
InChIKeyNTNOGZXQOWPDOJ-QLFBSQMISA-N
MW399.46 g/mol
LogP3.47
Rot. Bonds5

About (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 98539892) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID98539892
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESC[C@@H]1C[C@H](C)CN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H28F3N3O2/c1-13-9-14(2)11-26(10-13)15(3)19(28)25(4)12-18(27)24-17-8-6-5-7-16(17)20(21,22)23/h5-8,13-15H,9-12H2,1-4H3,(H,24,27)/t13-,14+,15-/m1/s1
InChIKeyNTNOGZXQOWPDOJ-QLFBSQMISA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42929030
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42921497
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 98539892) is (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is C[C@@H]1C[C@H](C)CN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is NTNOGZXQOWPDOJ-QLFBSQMISA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-13-9-14(2)11-26(10-13)15(3)19(28)25(4)12-18(27)24-17-8-6-5-7-16(17)20(21,22)23/h5-8,13-15H,9-12H2,1-4H3,(H,24,27)/t13-,14+,15-/m1/s1.
What are the key properties of (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 399.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 98539892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).