(2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid

C17H20F3N3O3 — CID 118769916

IUPAC(2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H20F3N3O3/c18-17(19,20)12-3-4-14(21-10-12)22-8-5-11(6-9-22)15(24)23-7-1-2-13(23)16(25)26/h3-4,10-11,13H,1-2,5-9H2,(H,25,26)/t13-/m1/s1
InChIKeyBBJBMRQWXYOMIT-CYBMUJFWSA-N
MW371.36 g/mol
LogP2.39
Rot. Bonds3

About (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 118769916) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID118769916
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name(2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H20F3N3O3/c18-17(19,20)12-3-4-14(21-10-12)22-8-5-11(6-9-22)15(24)23-7-1-2-13(23)16(25)26/h3-4,10-11,13H,1-2,5-9H2,(H,25,26)/t13-/m1/s1
InChIKeyBBJBMRQWXYOMIT-CYBMUJFWSA-N
XLogP2.39
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 118769916) is (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BBJBMRQWXYOMIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c18-17(19,20)12-3-4-14(21-10-12)22-8-5-11(6-9-22)15(24)23-7-1-2-13(23)16(25)26/h3-4,10-11,13H,1-2,5-9H2,(H,25,26)/t13-/m1/s1.
What are the key properties of (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 371.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118769916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).