3-(3-morpholin-4-ylpropylamino)azepan-2-one

C13H25N3O2 — CID 43244667

IUPAC3-(3-morpholin-4-ylpropylamino)azepan-2-one
SMILESO=C1NCCCCC1NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O2/c17-13-12(4-1-2-5-15-13)14-6-3-7-16-8-10-18-11-9-16/h12,14H,1-11H2,(H,15,17)
InChIKeyFSCBYZVCISQBBG-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds5

About 3-(3-morpholin-4-ylpropylamino)azepan-2-one

3-(3-morpholin-4-ylpropylamino)azepan-2-one (PubChem CID 43244667) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)azepan-2-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)azepan-2-one
PubChem CID43244667
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(3-morpholin-4-ylpropylamino)azepan-2-one
SMILESO=C1NCCCCC1NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O2/c17-13-12(4-1-2-5-15-13)14-6-3-7-16-8-10-18-11-9-16/h12,14H,1-11H2,(H,15,17)
InChIKeyFSCBYZVCISQBBG-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropylamino)azepan-2-one?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)azepan-2-one (CID 43244667) is 3-(3-morpholin-4-ylpropylamino)azepan-2-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)azepan-2-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)azepan-2-one is O=C1NCCCCC1NCCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)azepan-2-one?
The InChIKey is FSCBYZVCISQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-13-12(4-1-2-5-15-13)14-6-3-7-16-8-10-18-11-9-16/h12,14H,1-11H2,(H,15,17).
What are the key properties of 3-(3-morpholin-4-ylpropylamino)azepan-2-one?
3-(3-morpholin-4-ylpropylamino)azepan-2-one has a molecular weight of 255.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)azepan-2-one is sourced from PubChem (CID 43244667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).