4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

C25H33F3N4O2 — CID 24996177

IUPAC4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCN(C)CC1CCCN(C(=O)CN2C(=O)C(c3ccc(C(F)(F)F)cc3)=NC23CCCCC3)C1
InChIInChI=1S/C25H33F3N4O2/c1-30(2)15-18-7-6-14-31(16-18)21(33)17-32-23(34)22(29-24(32)12-4-3-5-13-24)19-8-10-20(11-9-19)25(26,27)28/h8-11,18H,3-7,12-17H2,1-2H3
InChIKeyVGVBJIFUUCSDLH-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.80
Rot. Bonds5

About 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 24996177) has the molecular formula C25H33F3N4O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID24996177
Molecular FormulaC25H33F3N4O2
Molecular Weight478.56 g/mol
Exact Mass478.26
IUPAC Name4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCN(C)CC1CCCN(C(=O)CN2C(=O)C(c3ccc(C(F)(F)F)cc3)=NC23CCCCC3)C1
InChIInChI=1S/C25H33F3N4O2/c1-30(2)15-18-7-6-14-31(16-18)21(33)17-32-23(34)22(29-24(32)12-4-3-5-13-24)19-8-10-20(11-9-19)25(26,27)28/h8-11,18H,3-7,12-17H2,1-2H3
InChIKeyVGVBJIFUUCSDLH-UHFFFAOYSA-N
XLogP3.80
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-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 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 24996177) is 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is CN(C)CC1CCCN(C(=O)CN2C(=O)C(c3ccc(C(F)(F)F)cc3)=NC23CCCCC3)C1.
What is the InChIKey of 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is VGVBJIFUUCSDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O2/c1-30(2)15-18-7-6-14-31(16-18)21(33)17-32-23(34)22(29-24(32)12-4-3-5-13-24)19-8-10-20(11-9-19)25(26,27)28/h8-11,18H,3-7,12-17H2,1-2H3.
What are the key properties of 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 478.56 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 24996177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).