8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one

C24H30F2N4O2 — CID 162619599

IUPAC8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESC=C1NC2(CCC(F)(F)CC2)C(=O)N1CC(=O)c1ccc(C2CCCN=C2CNC)cc1
InChIInChI=1S/C24H30F2N4O2/c1-16-29-23(9-11-24(25,26)12-10-23)22(32)30(16)15-21(31)18-7-5-17(6-8-18)19-4-3-13-28-20(19)14-27-2/h5-8,19,27,29H,1,3-4,9-15H2,2H3
InChIKeyHYZKCMXVNIILFC-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.26
Rot. Bonds6

About 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one

8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 162619599) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
PubChem CID162619599
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESC=C1NC2(CCC(F)(F)CC2)C(=O)N1CC(=O)c1ccc(C2CCCN=C2CNC)cc1
InChIInChI=1S/C24H30F2N4O2/c1-16-29-23(9-11-24(25,26)12-10-23)22(32)30(16)15-21(31)18-7-5-17(6-8-18)19-4-3-13-28-20(19)14-27-2/h5-8,19,27,29H,1,3-4,9-15H2,2H3
InChIKeyHYZKCMXVNIILFC-UHFFFAOYSA-N
XLogP3.26
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-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 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one (CID 162619599) is 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one is C=C1NC2(CCC(F)(F)CC2)C(=O)N1CC(=O)c1ccc(C2CCCN=C2CNC)cc1.
What is the InChIKey of 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is HYZKCMXVNIILFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O2/c1-16-29-23(9-11-24(25,26)12-10-23)22(32)30(16)15-21(31)18-7-5-17(6-8-18)19-4-3-13-28-20(19)14-27-2/h5-8,19,27,29H,1,3-4,9-15H2,2H3.
What are the key properties of 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one?
8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 444.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 162619599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).