3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C22H28N2O4 — CID 8867327

IUPAC3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc(OC)c1
InChIInChI=1S/C22H28N2O4/c1-26-18-14-17(15-19(16-18)27-2)8-9-22(25)24-12-10-23(11-13-24)20-6-4-5-7-21(20)28-3/h4-7,14-16H,8-13H2,1-3H3
InChIKeyGTHVPIHZCDYSLG-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.99
Rot. Bonds7

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

3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 8867327) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID8867327
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc(OC)c1
InChIInChI=1S/C22H28N2O4/c1-26-18-14-17(15-19(16-18)27-2)8-9-22(25)24-12-10-23(11-13-24)20-6-4-5-7-21(20)28-3/h4-7,14-16H,8-13H2,1-3H3
InChIKeyGTHVPIHZCDYSLG-UHFFFAOYSA-N
XLogP2.99
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
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4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylbenzamide
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4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
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1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-(benzylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018947
3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 8867327) is 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1cc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is GTHVPIHZCDYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-18-14-17(15-19(16-18)27-2)8-9-22(25)24-12-10-23(11-13-24)20-6-4-5-7-21(20)28-3/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 8867327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).