1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one

C24H30N2O6 — CID 110180457

IUPAC1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(C(=O)CCN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H30N2O6/c1-29-19-7-5-6-17(14-19)20(27)8-9-25-10-12-26(13-11-25)24(28)18-15-21(30-2)23(32-4)22(16-18)31-3/h5-7,14-16H,8-13H2,1-4H3
InChIKeyTZKWFQPNMGOOIE-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.75
Rot. Bonds9

About 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one

1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110180457) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110180457
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(C(=O)CCN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H30N2O6/c1-29-19-7-5-6-17(14-19)20(27)8-9-25-10-12-26(13-11-25)24(28)18-15-21(30-2)23(32-4)22(16-18)31-3/h5-7,14-16H,8-13H2,1-4H3
InChIKeyTZKWFQPNMGOOIE-UHFFFAOYSA-N
XLogP2.75
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180814
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 23905789
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one (CID 110180457) is 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one is COc1cccc(C(=O)CCN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is TZKWFQPNMGOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-29-19-7-5-6-17(14-19)20(27)8-9-25-10-12-26(13-11-25)24(28)18-15-21(30-2)23(32-4)22(16-18)31-3/h5-7,14-16H,8-13H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one?
1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 442.51 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110180457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).