1,3-dioxan-2-yl(morpholin-4-yl)methanone

C9H15NO4 — CID 67193360

IUPAC1,3-dioxan-2-yl(morpholin-4-yl)methanone
SMILESO=C(C1OCCCO1)N1CCOCC1
InChIInChI=1S/C9H15NO4/c11-8(9-13-4-1-5-14-9)10-2-6-12-7-3-10/h9H,1-7H2
InChIKeyCLPLROFQSFTNQT-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.39
Rot. Bonds1

About 1,3-dioxan-2-yl(morpholin-4-yl)methanone

1,3-dioxan-2-yl(morpholin-4-yl)methanone (PubChem CID 67193360) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1,3-dioxan-2-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1,3-dioxan-2-yl(morpholin-4-yl)methanone
PubChem CID67193360
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1,3-dioxan-2-yl(morpholin-4-yl)methanone
SMILESO=C(C1OCCCO1)N1CCOCC1
InChIInChI=1S/C9H15NO4/c11-8(9-13-4-1-5-14-9)10-2-6-12-7-3-10/h9H,1-7H2
InChIKeyCLPLROFQSFTNQT-UHFFFAOYSA-N
XLogP-0.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dioxan-2-yl(morpholin-4-yl)methanone 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

4-(3,3-Diethoxypropyl)morpholin-3-one
CID 79467738
2,2-Diethoxy-1-morpholin-4-ylethanone
CID 155929531
N-(dimethoxyacetyl)morpholine
CID 21298597
1,3-Dioxan-2-yl-(4-methylpiperazin-1-yl)methanone
CID 67194103
1,3-Dioxan-2-yl(piperidin-1-yl)methanone
CID 67204396
N-(1,3-dioxan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 141796283
1-Morpholin-4-yl-2-(oxan-2-yloxy)ethanone
CID 170446528
4-(3,3-Diethoxypropyl)morpholine-3,5-dione
CID 55247634
4-(2,2-Dimethoxyethyl)morpholine-3,5-dione
CID 60976068
4-(2,2-Diethoxyethyl)morpholine-3,5-dione
CID 60976677
4-[2-(1,3-Dioxan-2-yl)ethyl]morpholine-3,5-dione
CID 66472131
4-(2,2-Diethoxyethyl)morpholin-3-one
CID 79468130

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxan-2-yl(morpholin-4-yl)methanone?
The IUPAC name of 1,3-dioxan-2-yl(morpholin-4-yl)methanone (CID 67193360) is 1,3-dioxan-2-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 1,3-dioxan-2-yl(morpholin-4-yl)methanone?
The canonical SMILES for 1,3-dioxan-2-yl(morpholin-4-yl)methanone is O=C(C1OCCCO1)N1CCOCC1.
What is the InChIKey of 1,3-dioxan-2-yl(morpholin-4-yl)methanone?
The InChIKey is CLPLROFQSFTNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-8(9-13-4-1-5-14-9)10-2-6-12-7-3-10/h9H,1-7H2.
What are the key properties of 1,3-dioxan-2-yl(morpholin-4-yl)methanone?
1,3-dioxan-2-yl(morpholin-4-yl)methanone has a molecular weight of 201.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-2-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 67193360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).