2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C17H24F3N3O4 — CID 110286062

IUPAC2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C17H24F3N3O4/c18-17(19,20)16(26)22-6-3-12(4-7-22)14(24)23-5-1-2-13(23)15(25)21-8-10-27-11-9-21/h12-13H,1-11H2/t13-/m0/s1
InChIKeyCLGZIBCSAQOVPS-ZDUSSCGKSA-N
MW391.39 g/mol
LogP0.64
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110286062) has the molecular formula C17H24F3N3O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110286062
Molecular FormulaC17H24F3N3O4
Molecular Weight391.39 g/mol
Exact Mass391.17
IUPAC Name2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C17H24F3N3O4/c18-17(19,20)16(26)22-6-3-12(4-7-22)14(24)23-5-1-2-13(23)15(25)21-8-10-27-11-9-21/h12-13H,1-11H2/t13-/m0/s1
InChIKeyCLGZIBCSAQOVPS-ZDUSSCGKSA-N
XLogP0.64
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110286062) is 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is O=C([C@@H]1CCCN1C(=O)C1CCN(C(=O)C(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is CLGZIBCSAQOVPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24F3N3O4/c18-17(19,20)16(26)22-6-3-12(4-7-22)14(24)23-5-1-2-13(23)15(25)21-8-10-27-11-9-21/h12-13H,1-11H2/t13-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 391.39 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110286062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).