(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one

C23H28N2O3 — CID 110184552

IUPAC(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)N1CCN(C(C)C(O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-18(23(27)20-9-4-3-5-10-20)24-14-16-25(17-15-24)22(26)13-12-19-8-6-7-11-21(19)28-2/h3-13,18,23,27H,14-17H2,1-2H3/b13-12+
InChIKeyJEYKGGRHDYSESZ-OUKQBFOZSA-N
MW380.49 g/mol
LogP2.97
Rot. Bonds6

About (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one

(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 110184552) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID110184552
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)N1CCN(C(C)C(O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-18(23(27)20-9-4-3-5-10-20)24-14-16-25(17-15-24)22(26)13-12-19-8-6-7-11-21(19)28-2/h3-13,18,23,27H,14-17H2,1-2H3/b13-12+
InChIKeyJEYKGGRHDYSESZ-OUKQBFOZSA-N
XLogP2.97
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 110184452
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 102603388
(E)-1-[4-[(1S,2R)-1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 70683006
1-[4-[(1S,2R)-1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 76956156
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 46559839
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 134005407
(E)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 26756650
(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 10719928
1-[3-(2-methoxyphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126771752
[1-oxo-1-(1-phenylethylamino)propan-2-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 42975583

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one (CID 110184552) is (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one is COc1ccccc1/C=C/C(=O)N1CCN(C(C)C(O)c2ccccc2)CC1.
What is the InChIKey of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is JEYKGGRHDYSESZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-18(23(27)20-9-4-3-5-10-20)24-14-16-25(17-15-24)22(26)13-12-19-8-6-7-11-21(19)28-2/h3-13,18,23,27H,14-17H2,1-2H3/b13-12+.
What are the key properties of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one?
(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 380.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 110184552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).