(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide

C13H20F3N3O2 — CID 94512781

IUPAC(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)8-18-4-1-9(2-5-18)12(21)19-6-3-10(7-19)11(17)20/h9-10H,1-8H2,(H2,17,20)/t10-/m0/s1
InChIKeyKIKCXUFVKRIKRA-JTQLQIEISA-N
MW307.32 g/mol
LogP0.59
Rot. Bonds3

About (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide

(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 94512781) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID94512781
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)8-18-4-1-9(2-5-18)12(21)19-6-3-10(7-19)11(17)20/h9-10H,1-8H2,(H2,17,20)/t10-/m0/s1
InChIKeyKIKCXUFVKRIKRA-JTQLQIEISA-N
XLogP0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide (CID 94512781) is (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is KIKCXUFVKRIKRA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20F3N3O2/c14-13(15,16)8-18-4-1-9(2-5-18)12(21)19-6-3-10(7-19)11(17)20/h9-10H,1-8H2,(H2,17,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide?
(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94512781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).