1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one

C23H30N2O5 — CID 4740668

IUPAC1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one
SMILESCOc1ccc(C(C)N2CCN(C(=O)CCOc3ccccc3O)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-17(19-9-8-18(28-2)16-22(19)29-3)24-11-13-25(14-12-24)23(27)10-15-30-21-7-5-4-6-20(21)26/h4-9,16-17,26H,10-15H2,1-3H3
InChIKeyIKMNTAYPRDXOQK-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.08
Rot. Bonds8

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

1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one (PubChem CID 4740668) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one
PubChem CID4740668
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one
SMILESCOc1ccc(C(C)N2CCN(C(=O)CCOc3ccccc3O)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-17(19-9-8-18(28-2)16-22(19)29-3)24-11-13-25(14-12-24)23(27)10-15-30-21-7-5-4-6-20(21)26/h4-9,16-17,26H,10-15H2,1-3H3
InChIKeyIKMNTAYPRDXOQK-UHFFFAOYSA-N
XLogP3.08
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one with MolForge

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Related Compounds

3-(2-hydroxyphenoxy)-1-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 4740705
2-chloro-1-[4-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 2051192
2-chloro-1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 2757465
2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 4740636
4-[4-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051207
4-[4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051210
1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one
CID 4740578
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741032
3-(4-hydroxyphenoxy)-1-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 4740707
1-[4-[1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 75375628
1-(2-chloroethyl)-4-[1-(2,4-dimethoxyphenyl)ethyl]piperazine
CID 4741631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one?
The IUPAC name of 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one (CID 4740668) is 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one?
The canonical SMILES for 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one is COc1ccc(C(C)N2CCN(C(=O)CCOc3ccccc3O)CC2)c(OC)c1.
What is the InChIKey of 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one?
The InChIKey is IKMNTAYPRDXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-17(19-9-8-18(28-2)16-22(19)29-3)24-11-13-25(14-12-24)23(27)10-15-30-21-7-5-4-6-20(21)26/h4-9,16-17,26H,10-15H2,1-3H3.
What are the key properties of 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one?
1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one has a molecular weight of 414.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one is sourced from PubChem (CID 4740668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).