1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C15H21F3N2O4 — CID 110344068

IUPAC1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H21F3N2O4/c16-15(17,18)13(22)20-5-1-11(2-6-20)12(21)19-7-3-14(4-8-19)23-9-10-24-14/h11H,1-10H2
InChIKeyVYVQDOYGTRHLTF-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.15
Rot. Bonds1

About 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 110344068) has the molecular formula C15H21F3N2O4 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID110344068
Molecular FormulaC15H21F3N2O4
Molecular Weight350.34 g/mol
Exact Mass350.15
IUPAC Name1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H21F3N2O4/c16-15(17,18)13(22)20-5-1-11(2-6-20)12(21)19-7-3-14(4-8-19)23-9-10-24-14/h11H,1-10H2
InChIKeyVYVQDOYGTRHLTF-UHFFFAOYSA-N
XLogP1.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone 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 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 110344068) is 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is VYVQDOYGTRHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4/c16-15(17,18)13(22)20-5-1-11(2-6-20)12(21)19-7-3-14(4-8-19)23-9-10-24-14/h11H,1-10H2.
What are the key properties of 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 350.34 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 110344068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).