1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone

C19H24N4O2 — CID 155565090

IUPAC1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCN2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-16(24)17-3-5-18(6-4-17)25-14-2-9-22-10-12-23(13-11-22)19-15-20-7-8-21-19/h3-8,15H,2,9-14H2,1H3
InChIKeyDKHFFBAJVPYYIH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.27
Rot. Bonds7

About 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone

1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone (PubChem CID 155565090) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
PubChem CID155565090
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCN2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-16(24)17-3-5-18(6-4-17)25-14-2-9-22-10-12-23(13-11-22)19-15-20-7-8-21-19/h3-8,15H,2,9-14H2,1H3
InChIKeyDKHFFBAJVPYYIH-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]butanoic acid
CID 71154776
4-oxo-4-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]butanoic acid;dihydrochloride
CID 71477000
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
ethyl 6-[4-(3-phenoxypropyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55579197
1-[4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenyl]ethanone
CID 8591809
1-[4-[4-(3-phenoxypropyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9044143
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954798
[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70034589
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
ethyl 4-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propoxy]benzoate
CID 14989315

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone (CID 155565090) is 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone is CC(=O)c1ccc(OCCCN2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone?
The InChIKey is DKHFFBAJVPYYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-16(24)17-3-5-18(6-4-17)25-14-2-9-22-10-12-23(13-11-22)19-15-20-7-8-21-19/h3-8,15H,2,9-14H2,1H3.
What are the key properties of 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone?
1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone is sourced from PubChem (CID 155565090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).