(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone

C23H28N2O2 — CID 129355029

IUPAC(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H28N2O2/c26-23(20-9-11-22(12-10-20)24-14-16-27-17-15-24)25-13-5-4-8-21(18-25)19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-18H2/t21-/m1/s1
InChIKeyCQAZDSLWSOZQOJ-OAQYLSRUSA-N
MW364.49 g/mol
LogP3.93
Rot. Bonds3

About (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone

(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone (PubChem CID 129355029) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
PubChem CID129355029
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H28N2O2/c26-23(20-9-11-22(12-10-20)24-14-16-27-17-15-24)25-13-5-4-8-21(18-25)19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-18H2/t21-/m1/s1
InChIKeyCQAZDSLWSOZQOJ-OAQYLSRUSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid
CID 97187916
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(4-morpholin-4-ylphenyl)methanone
CID 121192050
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(4-methylphenyl)-[(3S)-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]piperidin-1-yl]methanone
CID 92872433
phenyl-[2-(3-phenylazepane-1-carbonyl)phenyl]methanone
CID 121130874
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
CID 45219229

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone?
The IUPAC name of (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone (CID 129355029) is (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone is O=C(c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H](c2ccccc2)C1.
What is the InChIKey of (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone?
The InChIKey is CQAZDSLWSOZQOJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(20-9-11-22(12-10-20)24-14-16-27-17-15-24)25-13-5-4-8-21(18-25)19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-18H2/t21-/m1/s1.
What are the key properties of (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone?
(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone is sourced from PubChem (CID 129355029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).