(2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide

C14H24F3N3O2 — CID 144692951

IUPAC(2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN1)C1CCC(OCC(F)(F)F)CN1
InChIInChI=1S/C14H24F3N3O2/c1-9(20-13(21)12-3-2-6-18-12)11-5-4-10(7-19-11)22-8-14(15,16)17/h9-12,18-19H,2-8H2,1H3,(H,20,21)/t9-,10?,11?,12-/m1/s1
InChIKeyLIPFKIJZOWPWBL-HBIQZDMRSA-N
MW323.36 g/mol
LogP0.94
Rot. Bonds5

About (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide

(2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 144692951) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID144692951
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name(2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN1)C1CCC(OCC(F)(F)F)CN1
InChIInChI=1S/C14H24F3N3O2/c1-9(20-13(21)12-3-2-6-18-12)11-5-4-10(7-19-11)22-8-14(15,16)17/h9-12,18-19H,2-8H2,1H3,(H,20,21)/t9-,10?,11?,12-/m1/s1
InChIKeyLIPFKIJZOWPWBL-HBIQZDMRSA-N
XLogP0.94
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide (CID 144692951) is (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide is C[C@@H](NC(=O)[C@H]1CCCN1)C1CCC(OCC(F)(F)F)CN1.
What is the InChIKey of (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is LIPFKIJZOWPWBL-HBIQZDMRSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-9(20-13(21)12-3-2-6-18-12)11-5-4-10(7-19-11)22-8-14(15,16)17/h9-12,18-19H,2-8H2,1H3,(H,20,21)/t9-,10?,11?,12-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
(2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144692951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).