azepan-1-yl(morpholin-4-yl)methanone

C11H20N2O2 — CID 669640

IUPACazepan-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(13-7-9-15-10-8-13)12-5-3-1-2-4-6-12/h1-10H2
InChIKeyHPUAGKXPTZCTFT-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.31
Rot. Bonds

About azepan-1-yl(morpholin-4-yl)methanone

azepan-1-yl(morpholin-4-yl)methanone (PubChem CID 669640) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is azepan-1-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(morpholin-4-yl)methanone
PubChem CID669640
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameazepan-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(13-7-9-15-10-8-13)12-5-3-1-2-4-6-12/h1-10H2
InChIKeyHPUAGKXPTZCTFT-UHFFFAOYSA-N
XLogP1.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(morpholin-4-yl)methanone?
The IUPAC name of azepan-1-yl(morpholin-4-yl)methanone (CID 669640) is azepan-1-yl(morpholin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl(morpholin-4-yl)methanone?
The canonical SMILES for azepan-1-yl(morpholin-4-yl)methanone is O=C(N1CCCCCC1)N1CCOCC1.
What is the InChIKey of azepan-1-yl(morpholin-4-yl)methanone?
The InChIKey is HPUAGKXPTZCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(13-7-9-15-10-8-13)12-5-3-1-2-4-6-12/h1-10H2.
What are the key properties of azepan-1-yl(morpholin-4-yl)methanone?
azepan-1-yl(morpholin-4-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 669640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).