10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one

C18H36N2O2 — CID 169229142

IUPAC10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one
SMILESCCCC(=O)CCCCCCN1CCN(CCCOC)CC1
InChIInChI=1S/C18H36N2O2/c1-3-9-18(21)10-6-4-5-7-11-19-13-15-20(16-14-19)12-8-17-22-2/h3-17H2,1-2H3
InChIKeyGVRPILWSZAOMDR-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.96
Rot. Bonds13

About 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one

10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one (PubChem CID 169229142) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one.

Molecular Properties

Compound Name10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one
PubChem CID169229142
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one
SMILESCCCC(=O)CCCCCCN1CCN(CCCOC)CC1
InChIInChI=1S/C18H36N2O2/c1-3-9-18(21)10-6-4-5-7-11-19-13-15-20(16-14-19)12-8-17-22-2/h3-17H2,1-2H3
InChIKeyGVRPILWSZAOMDR-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
1-methoxynonan-4-one
CID 65091900
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
CID 157204487
tridecane-4,10-dione
CID 158766358
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390
1-methoxytridecan-3-one
CID 62620260
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
methyl 5-[4-(2-oxoheptyl)piperazin-1-yl]pentanoate
CID 71385593
11-(4-methoxypiperidin-1-yl)undecan-3-one
CID 171786440

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one?
The IUPAC name of 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one (CID 169229142) is 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one.
What is the SMILES notation for 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one?
The canonical SMILES for 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one is CCCC(=O)CCCCCCN1CCN(CCCOC)CC1.
What is the InChIKey of 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one?
The InChIKey is GVRPILWSZAOMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-3-9-18(21)10-6-4-5-7-11-19-13-15-20(16-14-19)12-8-17-22-2/h3-17H2,1-2H3.
What are the key properties of 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one?
10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one has a molecular weight of 312.50 g/mol, XLogP of 2.96, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one is sourced from PubChem (CID 169229142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).