2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one

C14H27N3O2 — CID 56760634

IUPAC2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one
SMILESCC1CNC(=O)CCN1CC(C)(C)N1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12-10-15-13(18)4-5-16(12)11-14(2,3)17-6-8-19-9-7-17/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyPMAAUKWENOFXND-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds3

About 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one

2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one (PubChem CID 56760634) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one
PubChem CID56760634
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one
SMILESCC1CNC(=O)CCN1CC(C)(C)N1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12-10-15-13(18)4-5-16(12)11-14(2,3)17-6-8-19-9-7-17/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyPMAAUKWENOFXND-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one?
The IUPAC name of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one (CID 56760634) is 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one is CC1CNC(=O)CCN1CC(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one?
The InChIKey is PMAAUKWENOFXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12-10-15-13(18)4-5-16(12)11-14(2,3)17-6-8-19-9-7-17/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one?
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one has a molecular weight of 269.39 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56760634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).