8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one

C18H34N2O4 — CID 167559829

IUPAC8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one
SMILESCC(=O)COCCOCCCC(=O)CCCCN1CCN(C)CC1
InChIInChI=1S/C18H34N2O4/c1-17(21)16-24-15-14-23-13-5-7-18(22)6-3-4-8-20-11-9-19(2)10-12-20/h3-16H2,1-2H3
InChIKeyICFVKFITRZCQKZ-UHFFFAOYSA-N
MW342.48 g/mol
LogP1.38
Rot. Bonds14

About 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one

8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one (PubChem CID 167559829) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one
PubChem CID167559829
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one
SMILESCC(=O)COCCOCCCC(=O)CCCCN1CCN(C)CC1
InChIInChI=1S/C18H34N2O4/c1-17(21)16-24-15-14-23-13-5-7-18(22)6-3-4-8-20-11-9-19(2)10-12-20/h3-16H2,1-2H3
InChIKeyICFVKFITRZCQKZ-UHFFFAOYSA-N
XLogP1.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.38
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

1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
CID 135174637
1-(2-oxopropoxy)decan-4-one
CID 158938156
1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
CID 58143519
N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-2-[2-[4-oxo-5-[4,7,10-tris(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]pentoxy]ethoxy]acetamide
CID 158842162
1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one
CID 156867253
6-(4-methoxybutoxy)-N-methylhexanamide;3-[4-(2-methoxyethoxy)butoxy]-N-methylpropanamide;5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentanamide;8-(2-methoxyethoxy)-N-methyloctanamide;2-[5-(2-methoxyethoxy)pentoxy]-N-methylacetamide;4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide;5-(5-methoxypentoxy)-N-methylpentanamide;7-(3-methoxypropoxy)-N-methylheptanamide;N-methyl-2-[4-(4-methylpiperazin-1-yl)butoxy]acetamide;N-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[5-(4-methylpiperazin-1-yl)pentoxy]acetamide;N-methyl-2-[3-(4-methylpiperazin-1-yl)propoxy]acetamide
CID 158097425
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
2-[2-[3-(4-methylpiperazin-1-yl)propanoyloxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 59193459
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
1,4-bis(3-methoxypropyl)piperazine;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperazine;2-(4-methoxybutoxy)-N-methylacetamide;1-(4-methoxybutyl)-4-(2-methoxyethyl)piperazine;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide;2-(2-methoxyethoxy)-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;1-(7-methoxyheptyl)-4-methylpiperazine;methoxymethane;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide;1-methyl-4-[4-(4-methylpiperazin-1-yl)butyl]piperazine
CID 159751456
2-methoxyethyl 3-[[3-[2-[2-[2-[2-[3-[[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoate
CID 176880627

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one (CID 167559829) is 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one is CC(=O)COCCOCCCC(=O)CCCCN1CCN(C)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one?
The InChIKey is ICFVKFITRZCQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-17(21)16-24-15-14-23-13-5-7-18(22)6-3-4-8-20-11-9-19(2)10-12-20/h3-16H2,1-2H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one?
8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one has a molecular weight of 342.48 g/mol, XLogP of 1.38, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one is sourced from PubChem (CID 167559829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).