[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone

C13H18N4O4 — CID 4736510

IUPAC[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc[nH]c1C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H18N4O4/c18-12(16-1-5-20-6-2-16)10-11(15-9-14-10)13(19)17-3-7-21-8-4-17/h9H,1-8H2,(H,14,15)
InChIKeyPOLRKGAJZIETSC-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.65
Rot. Bonds2

About [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone

[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 4736510) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID4736510
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc[nH]c1C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H18N4O4/c18-12(16-1-5-20-6-2-16)10-11(15-9-14-10)13(19)17-3-7-21-8-4-17/h9H,1-8H2,(H,14,15)
InChIKeyPOLRKGAJZIETSC-UHFFFAOYSA-N
XLogP-0.65
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
CID 140856787
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 122679232
(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 117213589
8-hydroxy-6-(morpholine-4-carbonyl)-3H-quinazolin-4-one
CID 136608339
4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)-1H-imidazole-5-carboxylic acid
CID 102888664
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
1-(5-methyl-1H-imidazole-4-carbonyl)piperidine-4-carboxamide
CID 110683912
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 133124687
(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 559877
(2-aminopyrimidin-4-yl)-morpholin-4-ylmethanone
CID 117212768

Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone (CID 4736510) is [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone is O=C(c1nc[nH]c1C(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is POLRKGAJZIETSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c18-12(16-1-5-20-6-2-16)10-11(15-9-14-10)13(19)17-3-7-21-8-4-17/h9H,1-8H2,(H,14,15).
What are the key properties of [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone?
[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 294.31 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4736510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).