1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one

C18H24F3N3O — CID 71523005

IUPAC1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1ncccc1CCN1CC[C@H](CC(F)(F)F)C1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)12-14-6-10-23(13-14)11-7-15-4-3-8-22-17(15)24-9-2-1-5-16(24)25/h3-4,8,14H,1-2,5-7,9-13H2/t14-/m1/s1
InChIKeyJKYJUPWBNQIECJ-CQSZACIVSA-N
MW355.40 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one

1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one (PubChem CID 71523005) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one
PubChem CID71523005
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1ncccc1CCN1CC[C@H](CC(F)(F)F)C1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)12-14-6-10-23(13-14)11-7-15-4-3-8-22-17(15)24-9-2-1-5-16(24)25/h3-4,8,14H,1-2,5-7,9-13H2/t14-/m1/s1
InChIKeyJKYJUPWBNQIECJ-CQSZACIVSA-N
XLogP3.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one?
The IUPAC name of 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one (CID 71523005) is 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one?
The canonical SMILES for 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one is O=C1CCCCN1c1ncccc1CCN1CC[C@H](CC(F)(F)F)C1.
What is the InChIKey of 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one?
The InChIKey is JKYJUPWBNQIECJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24F3N3O/c19-18(20,21)12-14-6-10-23(13-14)11-7-15-4-3-8-22-17(15)24-9-2-1-5-16(24)25/h3-4,8,14H,1-2,5-7,9-13H2/t14-/m1/s1.
What are the key properties of 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one?
1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one has a molecular weight of 355.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one is sourced from PubChem (CID 71523005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).