4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one

C20H25N3O3 — CID 70755153

IUPAC4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ncc(C)c(OC)c2C)CC1=O
InChIInChI=1S/C20H25N3O3/c1-14-11-21-16(15(2)20(14)26-4)12-22-9-10-23(19(24)13-22)17-7-5-6-8-18(17)25-3/h5-8,11H,9-10,12-13H2,1-4H3
InChIKeyYUOUZUGHARNHAY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.56
Rot. Bonds5

About 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one

4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 70755153) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID70755153
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ncc(C)c(OC)c2C)CC1=O
InChIInChI=1S/C20H25N3O3/c1-14-11-21-16(15(2)20(14)26-4)12-22-9-10-23(19(24)13-22)17-7-5-6-8-18(17)25-3/h5-8,11H,9-10,12-13H2,1-4H3
InChIKeyYUOUZUGHARNHAY-UHFFFAOYSA-N
XLogP2.56
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one (CID 70755153) is 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one is COc1ccccc1N1CCN(Cc2ncc(C)c(OC)c2C)CC1=O.
What is the InChIKey of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is YUOUZUGHARNHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-11-21-16(15(2)20(14)26-4)12-22-9-10-23(19(24)13-22)17-7-5-6-8-18(17)25-3/h5-8,11H,9-10,12-13H2,1-4H3.
What are the key properties of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).