2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone

C15H30N2O4 — CID 168969805

IUPAC2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
SMILESCOCCCCCOCCCOCC(=O)N1CCNCC1
InChIInChI=1S/C15H30N2O4/c1-19-10-3-2-4-11-20-12-5-13-21-14-15(18)17-8-6-16-7-9-17/h16H,2-14H2,1H3
InChIKeyRLQVHZZMBMYNDJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.66
Rot. Bonds12

About 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone

2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone (PubChem CID 168969805) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
PubChem CID168969805
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
SMILESCOCCCCCOCCCOCC(=O)N1CCNCC1
InChIInChI=1S/C15H30N2O4/c1-19-10-3-2-4-11-20-12-5-13-21-14-15(18)17-8-6-16-7-9-17/h16H,2-14H2,1H3
InChIKeyRLQVHZZMBMYNDJ-UHFFFAOYSA-N
XLogP0.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
CID 103402655
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
CID 39286712
2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
1-(1,4-diazepan-1-yl)-2-propoxyethanone;hydrochloride
CID 119415667
ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 168970015
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone (CID 168969805) is 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone is COCCCCCOCCCOCC(=O)N1CCNCC1.
What is the InChIKey of 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone?
The InChIKey is RLQVHZZMBMYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-19-10-3-2-4-11-20-12-5-13-21-14-15(18)17-8-6-16-7-9-17/h16H,2-14H2,1H3.
What are the key properties of 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone?
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 0.66, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone is sourced from PubChem (CID 168969805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).