(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

C22H27N5O3 — CID 122355415

IUPAC(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1
InChIInChI=1S/C22H27N5O3/c1-29-20-5-2-18(3-6-20)4-7-22(28)27-10-8-26(9-11-27)21-16-19(17-23-24-21)25-12-14-30-15-13-25/h2-7,16-17H,8-15H2,1H3/b7-4+
InChIKeyPVIDCOAIRFQLLX-QPJJXVBHSA-N
MW409.49 g/mol
LogP1.68
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 122355415) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID122355415
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1
InChIInChI=1S/C22H27N5O3/c1-29-20-5-2-18(3-6-20)4-7-22(28)27-10-8-26(9-11-27)21-16-19(17-23-24-21)25-12-14-30-15-13-25/h2-7,16-17H,8-15H2,1H3/b7-4+
InChIKeyPVIDCOAIRFQLLX-QPJJXVBHSA-N
XLogP1.68
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9272098
N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 71807558
2-(4-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355625
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9158468
2-(4-methoxy-3-methylphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122355410
2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355627
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 9158421
3-(3-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 78287690
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432
(2,3-dimethoxyphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121137255
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (CID 122355415) is (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is COc1ccc(/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is PVIDCOAIRFQLLX-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-29-20-5-2-18(3-6-20)4-7-22(28)27-10-8-26(9-11-27)21-16-19(17-23-24-21)25-12-14-30-15-13-25/h2-7,16-17H,8-15H2,1H3/b7-4+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 409.49 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 122355415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).