1-(morpholine-4-carbonyl)-1,4-diazepan-5-one

C10H17N3O3 — CID 112723149

IUPAC1-(morpholine-4-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)N2CCOCC2)CCN1
InChIInChI=1S/C10H17N3O3/c14-9-1-3-12(4-2-11-9)10(15)13-5-7-16-8-6-13/h1-8H2,(H,11,14)
InChIKeyIRGPVEHPZURQDG-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.74
Rot. Bonds

About 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one

1-(morpholine-4-carbonyl)-1,4-diazepan-5-one (PubChem CID 112723149) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(morpholine-4-carbonyl)-1,4-diazepan-5-one
PubChem CID112723149
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(morpholine-4-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)N2CCOCC2)CCN1
InChIInChI=1S/C10H17N3O3/c14-9-1-3-12(4-2-11-9)10(15)13-5-7-16-8-6-13/h1-8H2,(H,11,14)
InChIKeyIRGPVEHPZURQDG-UHFFFAOYSA-N
XLogP-0.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one (CID 112723149) is 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one is O=C1CCN(C(=O)N2CCOCC2)CCN1.
What is the InChIKey of 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one?
The InChIKey is IRGPVEHPZURQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9-1-3-12(4-2-11-9)10(15)13-5-7-16-8-6-13/h1-8H2,(H,11,14).
What are the key properties of 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one?
1-(morpholine-4-carbonyl)-1,4-diazepan-5-one has a molecular weight of 227.26 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholine-4-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 112723149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).