4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one

C23H31N3O4 — CID 177251976

IUPAC4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCNC(=O)C1(C)C
InChIInChI=1S/C23H31N3O4/c1-14-15(2)21(27)25(5)12-17(14)16-10-19(29-6)18(20(11-16)30-7)13-26-9-8-24-22(28)23(26,3)4/h10-12H,8-9,13H2,1-7H3,(H,24,28)
InChIKeyGZGLUUZCNOJFLJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.40
Rot. Bonds5

About 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one

4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 177251976) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one
PubChem CID177251976
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCNC(=O)C1(C)C
InChIInChI=1S/C23H31N3O4/c1-14-15(2)21(27)25(5)12-17(14)16-10-19(29-6)18(20(11-16)30-7)13-26-9-8-24-22(28)23(26,3)4/h10-12H,8-9,13H2,1-7H3,(H,24,28)
InChIKeyGZGLUUZCNOJFLJ-UHFFFAOYSA-N
XLogP2.40
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one with MolForge

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Related Compounds

5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
CID 175868074
tert-butyl 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperazine-1-carboxylate
CID 164720289
CID 171086589
CID 171086589
5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane
CID 177321773
5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
CID 177322220
5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one
CID 170068943
4-[3,5-dimethoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 170020193
1-[6-[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
CID 164719915
3-[4-[3-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]oxyprop-1-ynyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168931828
5-[4-[[(4S)-4-[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
CID 167379612
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one
CID 80657377
3-[4-[4-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 158176327

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one (CID 177251976) is 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is GZGLUUZCNOJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-14-15(2)21(27)25(5)12-17(14)16-10-19(29-6)18(20(11-16)30-7)13-26-9-8-24-22(28)23(26,3)4/h10-12H,8-9,13H2,1-7H3,(H,24,28).
What are the key properties of 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one?
4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 413.52 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 177251976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).