ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one

C15H32N2O — CID 145404569

IUPACethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
SMILESCC.CCCCCCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-3-5-6-7-8-13(16)15-11-9-14(4-2)10-12-15;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyMOQDGVJTSAUNSS-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.15
Rot. Bonds6

About ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one

ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one (PubChem CID 145404569) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one.

Molecular Properties

Compound Nameethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
PubChem CID145404569
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Nameethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
SMILESCC.CCCCCCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-3-5-6-7-8-13(16)15-11-9-14(4-2)10-12-15;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyMOQDGVJTSAUNSS-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one?
The IUPAC name of ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one (CID 145404569) is ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one.
What is the SMILES notation for ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one?
The canonical SMILES for ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one is CC.CCCCCCC(=O)N1CCN(CC)CC1.
What is the InChIKey of ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one?
The InChIKey is MOQDGVJTSAUNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-3-5-6-7-8-13(16)15-11-9-14(4-2)10-12-15;1-2/h3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one?
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one has a molecular weight of 256.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one is sourced from PubChem (CID 145404569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).