(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one

C21H24N2O — CID 143517257

IUPAC(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one
SMILESO=C(C/C=C\Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21(14-8-7-11-19-9-3-1-4-10-19)23-17-15-22(16-18-23)20-12-5-2-6-13-20/h1-10,12-13H,11,14-18H2/b8-7-
InChIKeySAQHTCBUZVPYOC-FPLPWBNLSA-N
MW320.44 g/mol
LogP3.52
Rot. Bonds5

About (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one

(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one (PubChem CID 143517257) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one.

Molecular Properties

Compound Name(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one
PubChem CID143517257
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one
SMILESO=C(C/C=C\Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21(14-8-7-11-19-9-3-1-4-10-19)23-17-15-22(16-18-23)20-12-5-2-6-13-20/h1-10,12-13H,11,14-18H2/b8-7-
InChIKeySAQHTCBUZVPYOC-FPLPWBNLSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
3-(benzylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109018934
2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone
CID 10900412
3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2228001
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811

Frequently Asked Questions

What is the IUPAC name of (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one?
The IUPAC name of (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one (CID 143517257) is (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one.
What is the SMILES notation for (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one?
The canonical SMILES for (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one is O=C(C/C=C\Cc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one?
The InChIKey is SAQHTCBUZVPYOC-FPLPWBNLSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(14-8-7-11-19-9-3-1-4-10-19)23-17-15-22(16-18-23)20-12-5-2-6-13-20/h1-10,12-13H,11,14-18H2/b8-7-.
What are the key properties of (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one?
(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one has a molecular weight of 320.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one is sourced from PubChem (CID 143517257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).