2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide

C17H21F3N2O2S — CID 154854677

IUPAC2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)s1
InChIInChI=1S/C17H21F3N2O2S/c1-9-7-11(21-16(24)17(18,19)20)5-6-22(9)15(23)13-8-12(13)14-4-3-10(2)25-14/h3-4,9,11-13H,5-8H2,1-2H3,(H,21,24)/t9-,11-,12-,13-/m1/s1
InChIKeyKHVYYLDCWCYUQQ-OJAKKHQRSA-N
MW374.43 g/mol
LogP3.22
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide (PubChem CID 154854677) has the molecular formula C17H21F3N2O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
PubChem CID154854677
Molecular FormulaC17H21F3N2O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)s1
InChIInChI=1S/C17H21F3N2O2S/c1-9-7-11(21-16(24)17(18,19)20)5-6-22(9)15(23)13-8-12(13)14-4-3-10(2)25-14/h3-4,9,11-13H,5-8H2,1-2H3,(H,21,24)/t9-,11-,12-,13-/m1/s1
InChIKeyKHVYYLDCWCYUQQ-OJAKKHQRSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide (CID 154854677) is 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide is Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The InChIKey is KHVYYLDCWCYUQQ-OJAKKHQRSA-N. The full InChI is InChI=1S/C17H21F3N2O2S/c1-9-7-11(21-16(24)17(18,19)20)5-6-22(9)15(23)13-8-12(13)14-4-3-10(2)25-14/h3-4,9,11-13H,5-8H2,1-2H3,(H,21,24)/t9-,11-,12-,13-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide has a molecular weight of 374.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 154854677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).