5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one

C31H46N4O3 — CID 175868074

IUPAC5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C31H46N4O3/c1-22-23(2)30(36)33(3)20-26(22)24-18-28(37-4)27(29(19-24)38-5)21-34-14-16-35(17-15-34)25-6-8-31(9-7-25)10-12-32-13-11-31/h18-20,25,32H,6-17,21H2,1-5H3
InChIKeyAZERRDOZJQYGJG-UHFFFAOYSA-N
MW522.73 g/mol
LogP4.12
Rot. Bonds6

About 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one

5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one (PubChem CID 175868074) has the molecular formula C31H46N4O3 and a molecular weight of 522.73 g/mol. Its IUPAC name is 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
PubChem CID175868074
Molecular FormulaC31H46N4O3
Molecular Weight522.73 g/mol
Exact Mass522.36
IUPAC Name5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C31H46N4O3/c1-22-23(2)30(36)33(3)20-26(22)24-18-28(37-4)27(29(19-24)38-5)21-34-14-16-35(17-15-34)25-6-8-31(9-7-25)10-12-32-13-11-31/h18-20,25,32H,6-17,21H2,1-5H3
InChIKeyAZERRDOZJQYGJG-UHFFFAOYSA-N
XLogP4.12
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperazine-1-carboxylate
CID 164720289
4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one
CID 177251976
3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168931866
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
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
5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 154671883
4-[3,5-dimethoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 170020193
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
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
4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 170020511
CID 171086589
CID 171086589
(3S)-3-[[4-[4-[(4R)-1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione
CID 164964338

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one?
The IUPAC name of 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) is 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one?
The canonical SMILES for 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCN(C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one?
The InChIKey is AZERRDOZJQYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N4O3/c1-22-23(2)30(36)33(3)20-26(22)24-18-28(37-4)27(29(19-24)38-5)21-34-14-16-35(17-15-34)25-6-8-31(9-7-25)10-12-32-13-11-31/h18-20,25,32H,6-17,21H2,1-5H3.
What are the key properties of 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one?
5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one has a molecular weight of 522.73 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one is sourced from PubChem (CID 175868074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).