[3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone

C13H20N4O4 — CID 18974679

IUPAC[3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1C=CN(C(=O)N2CCOCC2)C1)N1CCOCC1
InChIInChI=1S/C13H20N4O4/c18-12(14-3-7-20-8-4-14)16-1-2-17(11-16)13(19)15-5-9-21-10-6-15/h1-2H,3-11H2
InChIKeyAJOAKWZLLYIQCD-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.06
Rot. Bonds

About [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone

[3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone (PubChem CID 18974679) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone
PubChem CID18974679
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name[3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1C=CN(C(=O)N2CCOCC2)C1)N1CCOCC1
InChIInChI=1S/C13H20N4O4/c18-12(14-3-7-20-8-4-14)16-1-2-17(11-16)13(19)15-5-9-21-10-6-15/h1-2H,3-11H2
InChIKeyAJOAKWZLLYIQCD-UHFFFAOYSA-N
XLogP-0.06
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl(triazol-2-yl)methanone
CID 56593103
(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone
CID 59620107
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
CID 136747595
CID 136747595
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
1-(morpholine-4-carbonyl)azetidine-3-carboxamide
CID 158069927
morpholin-4-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115667104

Frequently Asked Questions

What is the IUPAC name of [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone (CID 18974679) is [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone is O=C(N1C=CN(C(=O)N2CCOCC2)C1)N1CCOCC1.
What is the InChIKey of [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is AJOAKWZLLYIQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c18-12(14-3-7-20-8-4-14)16-1-2-17(11-16)13(19)15-5-9-21-10-6-15/h1-2H,3-11H2.
What are the key properties of [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone?
[3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 296.33 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 18974679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).