ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone

C19H40N2O4 — CID 168970015

IUPACethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CCOCCCCCOCCCOCC(=O)N1CCN(C)CC1
InChIInChI=1S/C17H34N2O4.C2H6/c1-3-21-12-5-4-6-13-22-14-7-15-23-16-17(20)19-10-8-18(2)9-11-19;1-2/h3-16H2,1-2H3;1-2H3
InChIKeyLMWPXSJEWNSNLH-UHFFFAOYSA-N
MW360.54 g/mol
LogP2.42
Rot. Bonds13

About ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone

ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 168970015) has the molecular formula C19H40N2O4 and a molecular weight of 360.54 g/mol. Its IUPAC name is ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID168970015
Molecular FormulaC19H40N2O4
Molecular Weight360.54 g/mol
Exact Mass360.30
IUPAC Nameethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CCOCCCCCOCCCOCC(=O)N1CCN(C)CC1
InChIInChI=1S/C17H34N2O4.C2H6/c1-3-21-12-5-4-6-13-22-14-7-15-23-16-17(20)19-10-8-18(2)9-11-19;1-2/h3-16H2,1-2H3;1-2H3
InChIKeyLMWPXSJEWNSNLH-UHFFFAOYSA-N
XLogP2.42
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(6-ethoxyhexoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 170000941
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805
1-(6-ethoxyhexyl)-3-methylimidazolidine
CID 140684108
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
2-[2-(7-methyloctoxy)ethoxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 171593629
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
CID 119104737
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
CID 166112079

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 168970015) is ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone is CC.CCOCCCCCOCCCOCC(=O)N1CCN(C)CC1.
What is the InChIKey of ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is LMWPXSJEWNSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4.C2H6/c1-3-21-12-5-4-6-13-22-14-7-15-23-16-17(20)19-10-8-18(2)9-11-19;1-2/h3-16H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone?
ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 360.54 g/mol, XLogP of 2.42, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 168970015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).