1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one

C22H32N2O3 — CID 45172215

IUPAC1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one
SMILESO=C1CCCCCN1CCC(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C22H32N2O3/c25-21-12-5-2-6-14-23(21)15-13-22(26)24-16-17-27-20(18-24)11-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,20H,2,5-7,10-18H2
InChIKeyVUYHSFABVWXASM-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.03
Rot. Bonds7

About 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one

1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one (PubChem CID 45172215) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one
PubChem CID45172215
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one
SMILESO=C1CCCCCN1CCC(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C22H32N2O3/c25-21-12-5-2-6-14-23(21)15-13-22(26)24-16-17-27-20(18-24)11-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,20H,2,5-7,10-18H2
InChIKeyVUYHSFABVWXASM-UHFFFAOYSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-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

3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
CID 2957681
1-(1,4-Oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
CID 92634114
1-[(5aR,9aS)-4-[2-(dimethylamino)ethyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-(4-methylphenyl)ethanone
CID 97511344
1-[(5aR,9aS)-4-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-phenylethanone
CID 97511354
1-{2-[(Morpholin-4-YL)methyl]azepan-1-YL}-3-phenylpropan-1-one
CID 124042357
1-(2,6-Dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 2905109
2,6-Dimethyl-4-(3-phenylbutanoyl)morpholine
CID 2914701
2,6-Dimethyl-4-(4-phenylbutanoyl)morpholine
CID 2914831
2-{3-Oxo-3-[2-(3-phenylpropyl)-4-morpholinyl]propyl}-1,2-oxazinane
CID 45206177
3-[2-(2,2-diphenylethyl)-4-morpholinyl]-N,N-dimethylpropanamide
CID 56864561
1-[(S)-2-benzyl-4-morpholinyl]-4-phenyl-1-butanone
CID 97041027
1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one
CID 25382885

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one?
The IUPAC name of 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one (CID 45172215) is 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one.
What is the SMILES notation for 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one?
The canonical SMILES for 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one is O=C1CCCCCN1CCC(=O)N1CCOC(CCCc2ccccc2)C1.
What is the InChIKey of 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one?
The InChIKey is VUYHSFABVWXASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-21-12-5-2-6-14-23(21)15-13-22(26)24-16-17-27-20(18-24)11-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,20H,2,5-7,10-18H2.
What are the key properties of 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one?
1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one has a molecular weight of 372.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]azepan-2-one is sourced from PubChem (CID 45172215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).