2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide

C15H23F3N2O2 — CID 22849533

IUPAC2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
SMILESCC1CCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-10-6-8-20(9-7-10)13(21)11-4-2-3-5-12(11)19-14(22)15(16,17)18/h10-12H,2-9H2,1H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyWECLGFLRBMLJNK-NEPJUHHUSA-N
MW320.36 g/mol
LogP2.48
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide

2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide (PubChem CID 22849533) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
PubChem CID22849533
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
SMILESCC1CCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-10-6-8-20(9-7-10)13(21)11-4-2-3-5-12(11)19-14(22)15(16,17)18/h10-12H,2-9H2,1H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyWECLGFLRBMLJNK-NEPJUHHUSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide (CID 22849533) is 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide is CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide?
The InChIKey is WECLGFLRBMLJNK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c1-10-6-8-20(9-7-10)13(21)11-4-2-3-5-12(11)19-14(22)15(16,17)18/h10-12H,2-9H2,1H3,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide?
2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide has a molecular weight of 320.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 22849533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).