2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one

C24H27N3O2 — CID 164579237

IUPAC2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-19-24(29-18-20-6-4-3-5-7-20)23(28)12-13-27(19)22-10-8-21(9-11-22)26-16-14-25(2)15-17-26/h3-13H,14-18H2,1-2H3
InChIKeyWFZLYXQYQTZNFY-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.48
Rot. Bonds5

About 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one

2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one (PubChem CID 164579237) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one
PubChem CID164579237
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-19-24(29-18-20-6-4-3-5-7-20)23(28)12-13-27(19)22-10-8-21(9-11-22)26-16-14-25(2)15-17-26/h3-13H,14-18H2,1-2H3
InChIKeyWFZLYXQYQTZNFY-UHFFFAOYSA-N
XLogP3.48
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate
CID 10338739
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one
CID 16723691
1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one
CID 141410735
3-(4-methylpiperazin-1-yl)-5-phenylmethoxyquinoline
CID 50994942
1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737
(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 164691958
N-benzyl-3-(4-methylpiperazin-1-yl)-2-phenylmethoxyaniline
CID 134080591
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one?
The IUPAC name of 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one (CID 164579237) is 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one?
The InChIKey is WFZLYXQYQTZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-19-24(29-18-20-6-4-3-5-7-20)23(28)12-13-27(19)22-10-8-21(9-11-22)26-16-14-25(2)15-17-26/h3-13H,14-18H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one?
2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one has a molecular weight of 389.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 164579237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).