1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C14H21F3N2O3 — CID 112507388

IUPAC1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC1(C)COCCN1C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O3/c1-13(2)9-22-8-7-19(13)11(20)10-3-5-18(6-4-10)12(21)14(15,16)17/h10H,3-9H2,1-2H3
InChIKeyWSPOPMKCMXFJMO-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.42
Rot. Bonds1

About 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 112507388) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID112507388
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC1(C)COCCN1C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O3/c1-13(2)9-22-8-7-19(13)11(20)10-3-5-18(6-4-10)12(21)14(15,16)17/h10H,3-9H2,1-2H3
InChIKeyWSPOPMKCMXFJMO-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 112507388) is 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone is CC1(C)COCCN1C(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is WSPOPMKCMXFJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-13(2)9-22-8-7-19(13)11(20)10-3-5-18(6-4-10)12(21)14(15,16)17/h10H,3-9H2,1-2H3.
What are the key properties of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 322.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 112507388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).