4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

C19H23N3O2 — CID 2944626

IUPAC4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(10-6-16-24-17-7-2-1-3-8-17)22-14-12-21(13-15-22)18-9-4-5-11-20-18/h1-5,7-9,11H,6,10,12-16H2
InChIKeyUNLWICQMOUCWDM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.59
Rot. Bonds6

About 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 2944626) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID2944626
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(10-6-16-24-17-7-2-1-3-8-17)22-14-12-21(13-15-22)18-9-4-5-11-20-18/h1-5,7-9,11H,6,10,12-16H2
InChIKeyUNLWICQMOUCWDM-UHFFFAOYSA-N
XLogP2.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
(E)-3-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 24241463
2-(2-Chlorophenoxy)-1-(4-(2-pyridyl)piperazinyl)ethan-1-one
CID 753208
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
1-[3-(4-Fluorophenoxy)propyl]-4-pyridin-2-ylpiperazine
CID 44209472

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (CID 2944626) is 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is O=C(CCCOc1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is UNLWICQMOUCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(10-6-16-24-17-7-2-1-3-8-17)22-14-12-21(13-15-22)18-9-4-5-11-20-18/h1-5,7-9,11H,6,10,12-16H2.
What are the key properties of 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 2944626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).