2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one

C18H32N2O3 — CID 3045398

IUPAC2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one
SMILESO=C1C(CN2CCOCC2)CCCCCC1CN1CCOCC1
InChIInChI=1S/C18H32N2O3/c21-18-16(14-19-6-10-22-11-7-19)4-2-1-3-5-17(18)15-20-8-12-23-13-9-20/h16-17H,1-15H2
InChIKeyOYGSCMLSHZGYTO-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.42
Rot. Bonds4

About 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one

2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one (PubChem CID 3045398) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one.

Molecular Properties

Compound Name2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one
PubChem CID3045398
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one
SMILESO=C1C(CN2CCOCC2)CCCCCC1CN1CCOCC1
InChIInChI=1S/C18H32N2O3/c21-18-16(14-19-6-10-22-11-7-19)4-2-1-3-5-17(18)15-20-8-12-23-13-9-20/h16-17H,1-15H2
InChIKeyOYGSCMLSHZGYTO-UHFFFAOYSA-N
XLogP1.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one?
The IUPAC name of 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one (CID 3045398) is 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one.
What is the SMILES notation for 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one?
The canonical SMILES for 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one is O=C1C(CN2CCOCC2)CCCCCC1CN1CCOCC1.
What is the InChIKey of 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one?
The InChIKey is OYGSCMLSHZGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c21-18-16(14-19-6-10-22-11-7-19)4-2-1-3-5-17(18)15-20-8-12-23-13-9-20/h16-17H,1-15H2.
What are the key properties of 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one?
2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one has a molecular weight of 324.47 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one is sourced from PubChem (CID 3045398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).