(2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide

C14H25F3N2O2 — CID 94119437

IUPAC(2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H]1CCCN([C@@H](C)CNC(=O)[C@@H](C)OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-10-5-4-6-19(8-10)11(2)7-18-13(20)12(3)21-9-14(15,16)17/h10-12H,4-9H2,1-3H3,(H,18,20)/t10-,11+,12-/m1/s1
InChIKeyRPTCGQBLBLPHCB-GRYCIOLGSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds6

About (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 94119437) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID94119437
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name(2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H]1CCCN([C@@H](C)CNC(=O)[C@@H](C)OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-10-5-4-6-19(8-10)11(2)7-18-13(20)12(3)21-9-14(15,16)17/h10-12H,4-9H2,1-3H3,(H,18,20)/t10-,11+,12-/m1/s1
InChIKeyRPTCGQBLBLPHCB-GRYCIOLGSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 94119437) is (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H]1CCCN([C@@H](C)CNC(=O)[C@@H](C)OCC(F)(F)F)C1.
What is the InChIKey of (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RPTCGQBLBLPHCB-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-10-5-4-6-19(8-10)11(2)7-18-13(20)12(3)21-9-14(15,16)17/h10-12H,4-9H2,1-3H3,(H,18,20)/t10-,11+,12-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 94119437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).