2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate

C17H23F3N4O2 — CID 170168818

IUPAC2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate
SMILESCC(=O)OCCN1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C17H23F3N4O2/c1-13(25)26-9-8-23-5-2-16(12-23)3-6-24(7-4-16)15-21-10-14(11-22-15)17(18,19)20/h10-11H,2-9,12H2,1H3
InChIKeyCLCFIMSXVJPXPQ-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.35
Rot. Bonds4

About 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate

2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate (PubChem CID 170168818) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate
PubChem CID170168818
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate
SMILESCC(=O)OCCN1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C17H23F3N4O2/c1-13(25)26-9-8-23-5-2-16(12-23)3-6-24(7-4-16)15-21-10-14(11-22-15)17(18,19)20/h10-11H,2-9,12H2,1H3
InChIKeyCLCFIMSXVJPXPQ-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate 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 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate?
The IUPAC name of 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate (CID 170168818) is 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate.
What is the SMILES notation for 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate?
The canonical SMILES for 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate is CC(=O)OCCN1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1.
What is the InChIKey of 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate?
The InChIKey is CLCFIMSXVJPXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-13(25)26-9-8-23-5-2-16(12-23)3-6-24(7-4-16)15-21-10-14(11-22-15)17(18,19)20/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate?
2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate has a molecular weight of 372.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate is sourced from PubChem (CID 170168818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).