4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one

C15H22N2O3 — CID 39284680

IUPAC4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
SMILESCOc1ccc(OCCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-4-6-14(7-5-13)20-12-2-3-15(18)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3
InChIKeyBWXRAYDNHZJCSB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.29
Rot. Bonds6

About 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one

4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one (PubChem CID 39284680) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
PubChem CID39284680
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
SMILESCOc1ccc(OCCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-4-6-14(7-5-13)20-12-2-3-15(18)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3
InChIKeyBWXRAYDNHZJCSB-UHFFFAOYSA-N
XLogP1.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284266
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
1-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119415930
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108543863

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one (CID 39284680) is 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one is COc1ccc(OCCCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one?
The InChIKey is BWXRAYDNHZJCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-4-6-14(7-5-13)20-12-2-3-15(18)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3.
What are the key properties of 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one?
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 39284680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).