(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one

C23H27N3O3 — CID 155503656

IUPAC(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C23H27N3O3/c27-22(9-8-19-5-2-1-3-6-19)26-13-16-29-21(18-25-11-14-28-15-12-25)23(26)20-7-4-10-24-17-20/h1-10,17,21,23H,11-16,18H2/b9-8+/t21-,23-/m0/s1
InChIKeyXIWCFLIYVFZKQC-ZOYNNKBVSA-N
MW393.49 g/mol
LogP2.40
Rot. Bonds5

About (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one

(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one (PubChem CID 155503656) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
PubChem CID155503656
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C23H27N3O3/c27-22(9-8-19-5-2-1-3-6-19)26-13-16-29-21(18-25-11-14-28-15-12-25)23(26)20-7-4-10-24-17-20/h1-10,17,21,23H,11-16,18H2/b9-8+/t21-,23-/m0/s1
InChIKeyXIWCFLIYVFZKQC-ZOYNNKBVSA-N
XLogP2.40
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155503401
2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155505758
N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 155492711
(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504237
1-[(2S,3S)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 171150576
(4-hydroxy-2-methylphenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155491360
1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504219
[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 155501269
6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155510191
(3S)-4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylic acid
CID 124513568
1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 71993670
(2S,3S)-N-methyl-2-(morpholin-4-ylmethyl)-N-propan-2-yl-3-pyridin-3-ylmorpholine-4-sulfonamide
CID 155494427

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one (CID 155503656) is (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1.
What is the InChIKey of (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one?
The InChIKey is XIWCFLIYVFZKQC-ZOYNNKBVSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(9-8-19-5-2-1-3-6-19)26-13-16-29-21(18-25-11-14-28-15-12-25)23(26)20-7-4-10-24-17-20/h1-10,17,21,23H,11-16,18H2/b9-8+/t21-,23-/m0/s1.
What are the key properties of (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one?
(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one has a molecular weight of 393.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 155503656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).