(3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C13H21F3N2O2 — CID 63709680

IUPAC(3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCCOC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H21F3N2O2/c1-2-20-10-4-3-7-18(8-10)11(19)12(13(14,15)16)5-6-17-9-12/h10,17H,2-9H2,1H3
InChIKeyXNMAGNPCXLYVHG-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds3

About (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63709680) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63709680
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name(3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCCOC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H21F3N2O2/c1-2-20-10-4-3-7-18(8-10)11(19)12(13(14,15)16)5-6-17-9-12/h10,17H,2-9H2,1H3
InChIKeyXNMAGNPCXLYVHG-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63709680) is (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CCOC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is XNMAGNPCXLYVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-2-20-10-4-3-7-18(8-10)11(19)12(13(14,15)16)5-6-17-9-12/h10,17H,2-9H2,1H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63709680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).