(4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide

C16H27F3N2O2 — CID 100909614

IUPAC(4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1CC(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C[C@@H](C)O1
InChIInChI=1S/C16H27F3N2O2/c1-10-7-12(8-11(2)23-10)20-14(22)21-6-5-13(16(17,18)19)15(3,4)9-21/h10-13H,5-9H2,1-4H3,(H,20,22)/t10-,11-,13-/m1/s1
InChIKeyCPYDBCQGVJXZRK-NQBHXWOUSA-N
MW336.40 g/mol
LogP3.56
Rot. Bonds1

About (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide

(4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 100909614) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID100909614
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name(4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1CC(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C[C@@H](C)O1
InChIInChI=1S/C16H27F3N2O2/c1-10-7-12(8-11(2)23-10)20-14(22)21-6-5-13(16(17,18)19)15(3,4)9-21/h10-13H,5-9H2,1-4H3,(H,20,22)/t10-,11-,13-/m1/s1
InChIKeyCPYDBCQGVJXZRK-NQBHXWOUSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide (CID 100909614) is (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide is C[C@@H]1CC(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C[C@@H](C)O1.
What is the InChIKey of (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is CPYDBCQGVJXZRK-NQBHXWOUSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-10-7-12(8-11(2)23-10)20-14(22)21-6-5-13(16(17,18)19)15(3,4)9-21/h10-13H,5-9H2,1-4H3,(H,20,22)/t10-,11-,13-/m1/s1.
What are the key properties of (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
(4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 100909614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).