ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

C15H32N2O2 — CID 156820072

IUPACethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCC.CCOCCCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2.C2H6/c1-4-17-11-5-6-13(16)15-9-7-14(8-10-15)12(2)3;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyJIYHIXSHHDKVDN-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.38
Rot. Bonds6

About ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 156820072) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Nameethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
PubChem CID156820072
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nameethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCC.CCOCCCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2.C2H6/c1-4-17-11-5-6-13(16)15-9-7-14(8-10-15)12(2)3;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyJIYHIXSHHDKVDN-UHFFFAOYSA-N
XLogP2.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-4-propoxybutan-1-one
CID 156820393
4-[2-[2-(6-ethoxyhexoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 170000941
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
CID 166112079
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 63337400
4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707058
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982524
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
2-[2-(7-methyloctoxy)ethoxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 171593629
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (CID 156820072) is ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is CC.CCOCCCC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is JIYHIXSHHDKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C2H6/c1-4-17-11-5-6-13(16)15-9-7-14(8-10-15)12(2)3;1-2/h12H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 272.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 156820072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).