4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one

C26H29N3O3 — CID 110250476

IUPAC4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(C)C(=O)C2Cc2cccc(-c3ccncc3)c2)c1OC
InChIInChI=1S/C26H29N3O3/c1-28-14-15-29(18-22-8-5-9-24(31-2)25(22)32-3)23(26(28)30)17-19-6-4-7-21(16-19)20-10-12-27-13-11-20/h4-13,16,23H,14-15,17-18H2,1-3H3
InChIKeyVWPZOIXXVZOUKR-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.65
Rot. Bonds7

About 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one

4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one (PubChem CID 110250476) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
PubChem CID110250476
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(C)C(=O)C2Cc2cccc(-c3ccncc3)c2)c1OC
InChIInChI=1S/C26H29N3O3/c1-28-14-15-29(18-22-8-5-9-24(31-2)25(22)32-3)23(26(28)30)17-19-6-4-7-21(16-19)20-10-12-27-13-11-20/h4-13,16,23H,14-15,17-18H2,1-3H3
InChIKeyVWPZOIXXVZOUKR-UHFFFAOYSA-N
XLogP3.65
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

4-[(4-methoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250474
4-[3-(2-methoxyphenyl)propanoyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250479
1-[(2,3-dimethoxyphenyl)methyl]-4-methyl-6-[(3-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110230328
4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110088259
(3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812050
1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-6-[(4-pyridin-4-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110230446
(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 124970385
(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 95813038
(3S)-4-(6-methoxypyridine-3-carbonyl)-1-propyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95812001
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
7-(2,6-dimethoxyphenyl)-1-[(3-pyridin-4-ylphenyl)methyl]azepane-2-carbaldehyde
CID 174685489
(3S)-4-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-ethyl-1-methylpiperazin-2-one
CID 99936209

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one (CID 110250476) is 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one is COc1cccc(CN2CCN(C)C(=O)C2Cc2cccc(-c3ccncc3)c2)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The InChIKey is VWPZOIXXVZOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-28-14-15-29(18-22-8-5-9-24(31-2)25(22)32-3)23(26(28)30)17-19-6-4-7-21(16-19)20-10-12-27-13-11-20/h4-13,16,23H,14-15,17-18H2,1-3H3.
What are the key properties of 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 110250476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).