1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one

C15H28N2O2 — CID 79560854

IUPAC1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1CCN1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-14(18)13-15-5-3-2-4-6-17(15)8-7-16-9-11-19-12-10-16/h15H,2-13H2,1H3
InChIKeyMWLMAJKRBBOQBC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.54
Rot. Bonds5

About 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one

1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one (PubChem CID 79560854) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one
PubChem CID79560854
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1CCN1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-14(18)13-15-5-3-2-4-6-17(15)8-7-16-9-11-19-12-10-16/h15H,2-13H2,1H3
InChIKeyMWLMAJKRBBOQBC-UHFFFAOYSA-N
XLogP1.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one (CID 79560854) is 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1CCN1CCOCC1.
What is the InChIKey of 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one?
The InChIKey is MWLMAJKRBBOQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(18)13-15-5-3-2-4-6-17(15)8-7-16-9-11-19-12-10-16/h15H,2-13H2,1H3.
What are the key properties of 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one?
1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one is sourced from PubChem (CID 79560854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).