8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one

C16H32N2O2 — CID 171083706

IUPAC8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
SMILESCOCCCN1CCN(CCCCCCC(C)=O)CC1
InChIInChI=1S/C16H32N2O2/c1-16(19)8-5-3-4-6-9-17-11-13-18(14-12-17)10-7-15-20-2/h3-15H2,1-2H3
InChIKeyUVUKCJPDEMNPRV-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.18
Rot. Bonds11

About 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one

8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one (PubChem CID 171083706) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one.

Molecular Properties

Compound Name8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
PubChem CID171083706
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
SMILESCOCCCN1CCN(CCCCCCC(C)=O)CC1
InChIInChI=1S/C16H32N2O2/c1-16(19)8-5-3-4-6-9-17-11-13-18(14-12-17)10-7-15-20-2/h3-15H2,1-2H3
InChIKeyUVUKCJPDEMNPRV-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.18
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

1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one
CID 169229142
17-methoxyheptadecan-2-one
CID 59530855
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
6-(4-acetyl-1,4-diazepan-1-yl)hexan-2-one
CID 55003112
1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
CID 165146296
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one?
The IUPAC name of 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one (CID 171083706) is 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one.
What is the SMILES notation for 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one?
The canonical SMILES for 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one is COCCCN1CCN(CCCCCCC(C)=O)CC1.
What is the InChIKey of 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one?
The InChIKey is UVUKCJPDEMNPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-16(19)8-5-3-4-6-9-17-11-13-18(14-12-17)10-7-15-20-2/h3-15H2,1-2H3.
What are the key properties of 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one?
8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one has a molecular weight of 284.44 g/mol, XLogP of 2.18, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one is sourced from PubChem (CID 171083706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).