1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone

C24H32N2O2 — CID 20729325

IUPAC1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCCCCOc1cccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1
InChIInChI=1S/C24H32N2O2/c1-3-4-5-6-18-28-24-9-7-8-23(19-24)26-16-14-25(15-17-26)22-12-10-21(11-13-22)20(2)27/h7-13,19H,3-6,14-18H2,1-2H3
InChIKeyKGDGVFCGTVBKNE-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.17
Rot. Bonds9

About 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 20729325) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone
PubChem CID20729325
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCCCCOc1cccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1
InChIInChI=1S/C24H32N2O2/c1-3-4-5-6-18-28-24-9-7-8-23(19-24)26-16-14-25(15-17-26)22-12-10-21(11-13-22)20(2)27/h7-13,19H,3-6,14-18H2,1-2H3
InChIKeyKGDGVFCGTVBKNE-UHFFFAOYSA-N
XLogP5.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid
CID 11058060
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
CID 23520521
1-[4-[4-(4-hexoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone
CID 20729330
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
CID 4733397
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 99935808
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3140260
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone (CID 20729325) is 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone is CCCCCCOc1cccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1.
What is the InChIKey of 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is KGDGVFCGTVBKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-4-5-6-18-28-24-9-7-8-23(19-24)26-16-14-25(15-17-26)22-12-10-21(11-13-22)20(2)27/h7-13,19H,3-6,14-18H2,1-2H3.
What are the key properties of 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 380.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 20729325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).