1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

C23H30N2O3 — CID 38573516

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCOc1cccc(N2CCN(C(=O)COc3cc(C(C)C)ccc3C)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-17(2)19-9-8-18(3)22(14-19)28-16-23(26)25-12-10-24(11-13-25)20-6-5-7-21(15-20)27-4/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyDXAJEXMDYQQYBY-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.85
Rot. Bonds6

About 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (PubChem CID 38573516) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
PubChem CID38573516
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCOc1cccc(N2CCN(C(=O)COc3cc(C(C)C)ccc3C)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-17(2)19-9-8-18(3)22(14-19)28-16-23(26)25-12-10-24(11-13-25)20-6-5-7-21(15-20)27-4/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyDXAJEXMDYQQYBY-UHFFFAOYSA-N
XLogP3.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one
CID 71701833
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
(E)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 9371769
2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31348908
2-(2,5-dimethylphenoxy)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
CID 55742604
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
(3R)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709296
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (CID 38573516) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone is COc1cccc(N2CCN(C(=O)COc3cc(C(C)C)ccc3C)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The InChIKey is DXAJEXMDYQQYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(2)19-9-8-18(3)22(14-19)28-16-23(26)25-12-10-24(11-13-25)20-6-5-7-21(15-20)27-4/h5-9,14-15,17H,10-13,16H2,1-4H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone has a molecular weight of 382.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 38573516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).