1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone

C18H27N3O3 — CID 89094706

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone
SMILESC=C(NCC(=O)N1CCN(c2ccc(O)cc2)CC1)OC(C)(C)C
InChIInChI=1S/C18H27N3O3/c1-14(24-18(2,3)4)19-13-17(23)21-11-9-20(10-12-21)15-5-7-16(22)8-6-15/h5-8,19,22H,1,9-13H2,2-4H3
InChIKeyZXYUKJUZCIQWTR-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.92
Rot. Bonds5

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone (PubChem CID 89094706) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone
PubChem CID89094706
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone
SMILESC=C(NCC(=O)N1CCN(c2ccc(O)cc2)CC1)OC(C)(C)C
InChIInChI=1S/C18H27N3O3/c1-14(24-18(2,3)4)19-13-17(23)21-11-9-20(10-12-21)15-5-7-16(22)8-6-15/h5-8,19,22H,1,9-13H2,2-4H3
InChIKeyZXYUKJUZCIQWTR-UHFFFAOYSA-N
XLogP1.92
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097949
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 110024245
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
CID 69482474
propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 69479549
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate
CID 70711272
tert-butyl N-[2-[4-[3-(diaminomethylideneamino)phenyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 163582357
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 75513891

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone (CID 89094706) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone is C=C(NCC(=O)N1CCN(c2ccc(O)cc2)CC1)OC(C)(C)C.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone?
The InChIKey is ZXYUKJUZCIQWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(24-18(2,3)4)19-13-17(23)21-11-9-20(10-12-21)15-5-7-16(22)8-6-15/h5-8,19,22H,1,9-13H2,2-4H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethanone is sourced from PubChem (CID 89094706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).