4-(2-morpholin-4-ylethylamino)azepan-2-one

C12H23N3O2 — CID 63904459

IUPAC4-(2-morpholin-4-ylethylamino)azepan-2-one
SMILESO=C1CC(NCCN2CCOCC2)CCCN1
InChIInChI=1S/C12H23N3O2/c16-12-10-11(2-1-3-14-12)13-4-5-15-6-8-17-9-7-15/h11,13H,1-10H2,(H,14,16)
InChIKeyIOKGUVZAGITZJS-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.42
Rot. Bonds4

About 4-(2-morpholin-4-ylethylamino)azepan-2-one

4-(2-morpholin-4-ylethylamino)azepan-2-one (PubChem CID 63904459) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)azepan-2-one.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)azepan-2-one
PubChem CID63904459
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(2-morpholin-4-ylethylamino)azepan-2-one
SMILESO=C1CC(NCCN2CCOCC2)CCCN1
InChIInChI=1S/C12H23N3O2/c16-12-10-11(2-1-3-14-12)13-4-5-15-6-8-17-9-7-15/h11,13H,1-10H2,(H,14,16)
InChIKeyIOKGUVZAGITZJS-UHFFFAOYSA-N
XLogP-0.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylamino)azepan-2-one?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)azepan-2-one (CID 63904459) is 4-(2-morpholin-4-ylethylamino)azepan-2-one.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)azepan-2-one?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)azepan-2-one is O=C1CC(NCCN2CCOCC2)CCCN1.
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)azepan-2-one?
The InChIKey is IOKGUVZAGITZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-12-10-11(2-1-3-14-12)13-4-5-15-6-8-17-9-7-15/h11,13H,1-10H2,(H,14,16).
What are the key properties of 4-(2-morpholin-4-ylethylamino)azepan-2-one?
4-(2-morpholin-4-ylethylamino)azepan-2-one has a molecular weight of 241.33 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylamino)azepan-2-one is sourced from PubChem (CID 63904459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).