3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one

C26H34N2O4 — CID 4229113

IUPAC3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(C)N(C(=O)CCc3ccc(OC)cc3)CC2C)cc1
InChIInChI=1S/C26H34N2O4/c1-19-17-28(26(30)16-10-22-7-13-24(32-4)14-8-22)20(2)18-27(19)25(29)15-9-21-5-11-23(31-3)12-6-21/h5-8,11-14,19-20H,9-10,15-18H2,1-4H3
InChIKeyHEMIXZRCNTYEJN-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.72
Rot. Bonds8

About 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one (PubChem CID 4229113) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
PubChem CID4229113
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(C)N(C(=O)CCc3ccc(OC)cc3)CC2C)cc1
InChIInChI=1S/C26H34N2O4/c1-19-17-28(26(30)16-10-22-7-13-24(32-4)14-8-22)20(2)18-27(19)25(29)15-9-21-5-11-23(31-3)12-6-21/h5-8,11-14,19-20H,9-10,15-18H2,1-4H3
InChIKeyHEMIXZRCNTYEJN-UHFFFAOYSA-N
XLogP3.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70772439
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 102787961
1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 102786869
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365
3-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110602191
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
CID 95584894
3-(4-methoxyphenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 71805517
(1S,4S)-5-[3-(4-methoxyphenyl)propanoyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985343
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 59950679

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one (CID 4229113) is 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CC(C)N(C(=O)CCc3ccc(OC)cc3)CC2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one?
The InChIKey is HEMIXZRCNTYEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-19-17-28(26(30)16-10-22-7-13-24(32-4)14-8-22)20(2)18-27(19)25(29)15-9-21-5-11-23(31-3)12-6-21/h5-8,11-14,19-20H,9-10,15-18H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one has a molecular weight of 438.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 4229113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).