3-pentoxy-1-piperazin-1-ylpropan-1-one

C12H24N2O2 — CID 62544248

IUPAC3-pentoxy-1-piperazin-1-ylpropan-1-one
SMILESCCCCCOCCC(=O)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-10-16-11-5-12(15)14-8-6-13-7-9-14/h13H,2-11H2,1H3
InChIKeyTZGOFLPDDKNOEB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.02
Rot. Bonds7

About 3-pentoxy-1-piperazin-1-ylpropan-1-one

3-pentoxy-1-piperazin-1-ylpropan-1-one (PubChem CID 62544248) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-pentoxy-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-pentoxy-1-piperazin-1-ylpropan-1-one
PubChem CID62544248
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-pentoxy-1-piperazin-1-ylpropan-1-one
SMILESCCCCCOCCC(=O)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-10-16-11-5-12(15)14-8-6-13-7-9-14/h13H,2-11H2,1H3
InChIKeyTZGOFLPDDKNOEB-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004

Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-pentoxy-1-piperazin-1-ylpropan-1-one (CID 62544248) is 3-pentoxy-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-pentoxy-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-pentoxy-1-piperazin-1-ylpropan-1-one is CCCCCOCCC(=O)N1CCNCC1.
What is the InChIKey of 3-pentoxy-1-piperazin-1-ylpropan-1-one?
The InChIKey is TZGOFLPDDKNOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-10-16-11-5-12(15)14-8-6-13-7-9-14/h13H,2-11H2,1H3.
What are the key properties of 3-pentoxy-1-piperazin-1-ylpropan-1-one?
3-pentoxy-1-piperazin-1-ylpropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62544248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).