2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide

C17H22F3N5O2 — CID 156678838

IUPAC2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide
SMILESCC(C(N)=O)[C@H]1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O
InChIInChI=1S/C17H22F3N5O2/c1-10(14(21)26)13-4-7-25(15(13)27)12-2-5-24(6-3-12)16-22-8-11(9-23-16)17(18,19)20/h8-10,12-13H,2-7H2,1H3,(H2,21,26)/t10?,13-/m1/s1
InChIKeyXSVVYAWHQKBTFX-JLOHTSLTSA-N
MW385.39 g/mol
LogP1.43
Rot. Bonds4

About 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide

2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide (PubChem CID 156678838) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide
PubChem CID156678838
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide
SMILESCC(C(N)=O)[C@H]1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O
InChIInChI=1S/C17H22F3N5O2/c1-10(14(21)26)13-4-7-25(15(13)27)12-2-5-24(6-3-12)16-22-8-11(9-23-16)17(18,19)20/h8-10,12-13H,2-7H2,1H3,(H2,21,26)/t10?,13-/m1/s1
InChIKeyXSVVYAWHQKBTFX-JLOHTSLTSA-N
XLogP1.43
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide (CID 156678838) is 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide is CC(C(N)=O)[C@H]1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O.
What is the InChIKey of 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide?
The InChIKey is XSVVYAWHQKBTFX-JLOHTSLTSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-10(14(21)26)13-4-7-25(15(13)27)12-2-5-24(6-3-12)16-22-8-11(9-23-16)17(18,19)20/h8-10,12-13H,2-7H2,1H3,(H2,21,26)/t10?,13-/m1/s1.
What are the key properties of 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide?
2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide has a molecular weight of 385.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 156678838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).