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

C15H28N2O2 — CID 110196381

IUPAC2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCCC1CN1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-13(2)15(18)17-7-5-3-4-6-14(17)12-16-8-10-19-11-9-16/h13-14H,3-12H2,1-2H3
InChIKeyPJNMHAMDOUWPMF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds3

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

2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one (PubChem CID 110196381) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one
PubChem CID110196381
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCCC1CN1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-13(2)15(18)17-7-5-3-4-6-14(17)12-16-8-10-19-11-9-16/h13-14H,3-12H2,1-2H3
InChIKeyPJNMHAMDOUWPMF-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5aS,9aS)-1-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[3,4-e][1,4]oxazepin-8-yl]-3-methylbutan-1-one
CID 110196088
1-[(5aS,9aS)-1-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[3,4-e][1,4]oxazepin-8-yl]-2-methylpropan-1-one
CID 110196094
1-Methyl-7-(morpholinocarbonyl)-2-azepanone
CID 110196297
3-Methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]butan-1-one
CID 110196380
2-Methyl-1-[4-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one
CID 110196395
3-Methoxy-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one
CID 124042354
Cyclopropyl-[2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 110196382
2-Methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 58333366
3-Methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 58333434
2-Methylpropyl 2-(morpholin-4-ylmethyl)-7-oxoazepane-1-carboxylate
CID 67768017
1-[2-(Morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 68299882
2-(2-Methoxyacetyl)-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
CID 68304356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one (CID 110196381) is 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one is CC(C)C(=O)N1CCCCCC1CN1CCOCC1.
What is the InChIKey of 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one?
The InChIKey is PJNMHAMDOUWPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)15(18)17-7-5-3-4-6-14(17)12-16-8-10-19-11-9-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one?
2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one is sourced from PubChem (CID 110196381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).