1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one

C25H28N2O3 — CID 57031748

IUPAC1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(N2CCOCC2)cc1)C=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H28N2O3/c28-25(11-5-21-1-7-23(8-2-21)26-13-17-29-18-14-26)12-6-22-3-9-24(10-4-22)27-15-19-30-20-16-27/h1-12H,13-20H2
InChIKeyZAFNYDLXFMWKLQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.66
Rot. Bonds6

About 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one

1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one (PubChem CID 57031748) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
PubChem CID57031748
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(N2CCOCC2)cc1)C=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H28N2O3/c28-25(11-5-21-1-7-23(8-2-21)26-13-17-29-18-14-26)12-6-22-3-9-24(10-4-22)27-15-19-30-20-16-27/h1-12H,13-20H2
InChIKeyZAFNYDLXFMWKLQ-UHFFFAOYSA-N
XLogP3.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 111434188
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
(E)-1-(2,5-dimethylthiophen-3-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8727394
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 4559641
4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 129009152
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one?
The IUPAC name of 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one (CID 57031748) is 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one is O=C(C=Cc1ccc(N2CCOCC2)cc1)C=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one?
The InChIKey is ZAFNYDLXFMWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-25(11-5-21-1-7-23(8-2-21)26-13-17-29-18-14-26)12-6-22-3-9-24(10-4-22)27-15-19-30-20-16-27/h1-12H,13-20H2.
What are the key properties of 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one?
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one has a molecular weight of 404.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 57031748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).