cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C21H25F3N2O3 — CID 46065274

IUPACcyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1)N1CCOCC1
InChIInChI=1S/C21H25F3N2O3/c22-21(23,24)17-3-1-2-15(12-17)18-7-6-16(13-26(18)20(28)14-4-5-14)19(27)25-8-10-29-11-9-25/h1-3,12,14,16,18H,4-11,13H2
InChIKeyLPQFPVPSDUDCAM-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.25
Rot. Bonds3

About cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 46065274) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID46065274
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Namecyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1)N1CCOCC1
InChIInChI=1S/C21H25F3N2O3/c22-21(23,24)17-3-1-2-15(12-17)18-7-6-16(13-26(18)20(28)14-4-5-14)19(27)25-8-10-29-11-9-25/h1-3,12,14,16,18H,4-11,13H2
InChIKeyLPQFPVPSDUDCAM-UHFFFAOYSA-N
XLogP3.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 46065274) is cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(C1CCC(c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1)N1CCOCC1.
What is the InChIKey of cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is LPQFPVPSDUDCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c22-21(23,24)17-3-1-2-15(12-17)18-7-6-16(13-26(18)20(28)14-4-5-14)19(27)25-8-10-29-11-9-25/h1-3,12,14,16,18H,4-11,13H2.
What are the key properties of cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 410.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(morpholine-4-carbonyl)-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46065274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).