(5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one

C13H19F3N2O2 — CID 129349155

IUPAC(5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one
SMILESCC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1CCC(=O)NC1
InChIInChI=1S/C13H19F3N2O2/c1-12(2)9(13(14,15)16)5-6-18(12)11(20)8-3-4-10(19)17-7-8/h8-9H,3-7H2,1-2H3,(H,17,19)/t8-,9+/m1/s1
InChIKeyXRNJJVHXHGKHNO-BDAKNGLRSA-N
MW292.30 g/mol
LogP1.70
Rot. Bonds1

About (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one

(5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one (PubChem CID 129349155) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one
PubChem CID129349155
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name(5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one
SMILESCC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1CCC(=O)NC1
InChIInChI=1S/C13H19F3N2O2/c1-12(2)9(13(14,15)16)5-6-18(12)11(20)8-3-4-10(19)17-7-8/h8-9H,3-7H2,1-2H3,(H,17,19)/t8-,9+/m1/s1
InChIKeyXRNJJVHXHGKHNO-BDAKNGLRSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one (CID 129349155) is (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one is CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1CCC(=O)NC1.
What is the InChIKey of (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one?
The InChIKey is XRNJJVHXHGKHNO-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-12(2)9(13(14,15)16)5-6-18(12)11(20)8-3-4-10(19)17-7-8/h8-9H,3-7H2,1-2H3,(H,17,19)/t8-,9+/m1/s1.
What are the key properties of (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one?
(5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one has a molecular weight of 292.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3S)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 129349155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).