N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide

C12H19F3N2O2 — CID 175727036

IUPACN-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](C(F)(F)F)OC1)C1CCNCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-2-1-9(7-19-10)17-11(18)8-3-5-16-6-4-8/h8-10,16H,1-7H2,(H,17,18)/t9-,10+/m1/s1
InChIKeyLNENTDFJORHVNV-ZJUUUORDSA-N
MW280.29 g/mol
LogP1.21
Rot. Bonds2

About N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide

N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide (PubChem CID 175727036) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide
PubChem CID175727036
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](C(F)(F)F)OC1)C1CCNCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-2-1-9(7-19-10)17-11(18)8-3-5-16-6-4-8/h8-10,16H,1-7H2,(H,17,18)/t9-,10+/m1/s1
InChIKeyLNENTDFJORHVNV-ZJUUUORDSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide (CID 175727036) is N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide is O=C(N[C@@H]1CC[C@@H](C(F)(F)F)OC1)C1CCNCC1.
What is the InChIKey of N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide?
The InChIKey is LNENTDFJORHVNV-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)10-2-1-9(7-19-10)17-11(18)8-3-5-16-6-4-8/h8-10,16H,1-7H2,(H,17,18)/t9-,10+/m1/s1.
What are the key properties of N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide?
N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 175727036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).