(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride

C26H31ClN2O2 — CID 6518597

IUPAC(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(/C=C/c1ccccc1)CCN1CCN(CCC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H30N2O2.ClH/c29-25(13-11-23-7-3-1-4-8-23)15-17-27-19-21-28(22-20-27)18-16-26(30)14-12-24-9-5-2-6-10-24;/h1-14H,15-22H2;1H/b13-11+,14-12+;
InChIKeyAGWNQYLHHGCYRF-JZOPPWQGSA-N
MW439.00 g/mol
LogP4.37
Rot. Bonds10

About (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride

(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride (PubChem CID 6518597) has the molecular formula C26H31ClN2O2 and a molecular weight of 439.00 g/mol. Its IUPAC name is (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
PubChem CID6518597
Molecular FormulaC26H31ClN2O2
Molecular Weight439.00 g/mol
Exact Mass438.21
IUPAC Name(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(/C=C/c1ccccc1)CCN1CCN(CCC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H30N2O2.ClH/c29-25(13-11-23-7-3-1-4-8-23)15-17-27-19-21-28(22-20-27)18-16-26(30)14-12-24-9-5-2-6-10-24;/h1-14H,15-22H2;1H/b13-11+,14-12+;
InChIKeyAGWNQYLHHGCYRF-JZOPPWQGSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride with MolForge

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Related Compounds

5-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69248140
(4E,6E)-1-(4-acetylpiperazin-1-yl)-7-phenylhepta-4,6-dien-3-one
CID 59803285
1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70534836
(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one
CID 59444030
5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69246489
(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one
CID 59803282
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
(E)-1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one
CID 12842145
5-(4-benzylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pent-1-en-3-one
CID 69247813
(E)-5-oxo-7-phenylhept-6-enoic acid
CID 15101995
5-oxo-7-phenylhept-6-enoic acid
CID 72745047
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride?
The IUPAC name of (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride (CID 6518597) is (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride.
What is the SMILES notation for (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride?
The canonical SMILES for (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride is Cl.O=C(/C=C/c1ccccc1)CCN1CCN(CCC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride?
The InChIKey is AGWNQYLHHGCYRF-JZOPPWQGSA-N. The full InChI is InChI=1S/C26H30N2O2.ClH/c29-25(13-11-23-7-3-1-4-8-23)15-17-27-19-21-28(22-20-27)18-16-26(30)14-12-24-9-5-2-6-10-24;/h1-14H,15-22H2;1H/b13-11+,14-12+;.
What are the key properties of (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride?
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride has a molecular weight of 439.00 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride is sourced from PubChem (CID 6518597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).