(2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one

C21H28N2O — CID 162662849

IUPAC(2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccc(N2CCCCC2)cc1)N1CCCCC1
InChIInChI=1S/C21H28N2O/c24-21(23-17-7-2-8-18-23)10-4-3-9-19-11-13-20(14-12-19)22-15-5-1-6-16-22/h3-4,9-14H,1-2,5-8,15-18H2/b9-3+,10-4+
InChIKeyYTEFFPSNRGTZID-LQIBPGRFSA-N
MW324.47 g/mol
LogP4.26
Rot. Bonds4

About (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one

(2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one (PubChem CID 162662849) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
PubChem CID162662849
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccc(N2CCCCC2)cc1)N1CCCCC1
InChIInChI=1S/C21H28N2O/c24-21(23-17-7-2-8-18-23)10-4-3-9-19-11-13-20(14-12-19)22-15-5-1-6-16-22/h3-4,9-14H,1-2,5-8,15-18H2/b9-3+,10-4+
InChIKeyYTEFFPSNRGTZID-LQIBPGRFSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one (CID 162662849) is (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one is O=C(/C=C/C=C/c1ccc(N2CCCCC2)cc1)N1CCCCC1.
What is the InChIKey of (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
The InChIKey is YTEFFPSNRGTZID-LQIBPGRFSA-N. The full InChI is InChI=1S/C21H28N2O/c24-21(23-17-7-2-8-18-23)10-4-3-9-19-11-13-20(14-12-19)22-15-5-1-6-16-22/h3-4,9-14H,1-2,5-8,15-18H2/b9-3+,10-4+.
What are the key properties of (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
(2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one has a molecular weight of 324.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-piperidin-1-yl-5-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 162662849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).