(2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide

C15H26F3N3O2 — CID 111751251

IUPAC(2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCC[C@@H]1CO
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)11-20-8-4-12(5-9-20)3-6-19-14(23)21-7-1-2-13(21)10-22/h12-13,22H,1-11H2,(H,19,23)/t13-/m1/s1
InChIKeyGJSIYUZDVCAXNE-CYBMUJFWSA-N
MW337.39 g/mol
LogP1.82
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 111751251) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID111751251
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name(2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCC[C@@H]1CO
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)11-20-8-4-12(5-9-20)3-6-19-14(23)21-7-1-2-13(21)10-22/h12-13,22H,1-11H2,(H,19,23)/t13-/m1/s1
InChIKeyGJSIYUZDVCAXNE-CYBMUJFWSA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide (CID 111751251) is (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is GJSIYUZDVCAXNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c16-15(17,18)11-20-8-4-12(5-9-20)3-6-19-14(23)21-7-1-2-13(21)10-22/h12-13,22H,1-11H2,(H,19,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111751251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).