1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone

C24H32N2O5 — CID 154211827

IUPAC1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
SMILESCOc1ccc(N2CCN(CCCOc3ccc(C(C)=O)cc3OC)CC2)c(OC)c1
InChIInChI=1S/C24H32N2O5/c1-18(27)19-6-9-22(24(16-19)30-4)31-15-5-10-25-11-13-26(14-12-25)21-8-7-20(28-2)17-23(21)29-3/h6-9,16-17H,5,10-15H2,1-4H3
InChIKeyCLCXMHWVHLLMHO-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.51
Rot. Bonds10

About 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone

1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone (PubChem CID 154211827) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
PubChem CID154211827
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
SMILESCOc1ccc(N2CCN(CCCOc3ccc(C(C)=O)cc3OC)CC2)c(OC)c1
InChIInChI=1S/C24H32N2O5/c1-18(27)19-6-9-22(24(16-19)30-4)31-15-5-10-25-11-13-26(14-12-25)21-8-7-20(28-2)17-23(21)29-3/h6-9,16-17H,5,10-15H2,1-4H3
InChIKeyCLCXMHWVHLLMHO-UHFFFAOYSA-N
XLogP3.51
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
1-[4-[3-[4-[bis(4-methoxyphenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 14407126
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
CID 59840227
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
CID 45484368
1-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 6493504
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-[4-[3-[4-(6-fluoroindazol-1-yl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 23362256
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
1-[4-[3-[4-(2H-indazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15840012
1-[4-[3-[4-[bis(2,4-difluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093862
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 55743530

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone (CID 154211827) is 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone is COc1ccc(N2CCN(CCCOc3ccc(C(C)=O)cc3OC)CC2)c(OC)c1.
What is the InChIKey of 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
The InChIKey is CLCXMHWVHLLMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-18(27)19-6-9-22(24(16-19)30-4)31-15-5-10-25-11-13-26(14-12-25)21-8-7-20(28-2)17-23(21)29-3/h6-9,16-17H,5,10-15H2,1-4H3.
What are the key properties of 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone has a molecular weight of 428.53 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 154211827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).