3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one

C15H23F3N2O3 — CID 45230011

IUPAC3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCN(C(=O)CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)10-14(22)20-5-1-2-12(11-20)3-4-13(21)19-6-8-23-9-7-19/h12H,1-11H2
InChIKeyUNRYQSADZQIQAZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.82
Rot. Bonds4

About 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one (PubChem CID 45230011) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
PubChem CID45230011
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCN(C(=O)CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)10-14(22)20-5-1-2-12(11-20)3-4-13(21)19-6-8-23-9-7-19/h12H,1-11H2
InChIKeyUNRYQSADZQIQAZ-UHFFFAOYSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one (CID 45230011) is 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCN(C(=O)CC(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one?
The InChIKey is UNRYQSADZQIQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c16-15(17,18)10-14(22)20-5-1-2-12(11-20)3-4-13(21)19-6-8-23-9-7-19/h12H,1-11H2.
What are the key properties of 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one has a molecular weight of 336.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 45230011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).