1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone

C18H25ClN2O2 — CID 138994235

IUPAC1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCCCCC1
InChIInChI=1S/C18H25ClN2O2/c19-16-7-5-15(6-8-16)17-13-20(11-12-23-17)14-18(22)21-9-3-1-2-4-10-21/h5-8,17H,1-4,9-14H2/t17-/m0/s1
InChIKeyQASYJAIHZOSKAZ-KRWDZBQOSA-N
MW336.86 g/mol
LogP3.12
Rot. Bonds3

About 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone

1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone (PubChem CID 138994235) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
PubChem CID138994235
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCCCCC1
InChIInChI=1S/C18H25ClN2O2/c19-16-7-5-15(6-8-16)17-13-20(11-12-23-17)14-18(22)21-9-3-1-2-4-10-21/h5-8,17H,1-4,9-14H2/t17-/m0/s1
InChIKeyQASYJAIHZOSKAZ-KRWDZBQOSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
CID 71937098
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 87018501
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone (CID 138994235) is 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone is O=C(CN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone?
The InChIKey is QASYJAIHZOSKAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-7-5-15(6-8-16)17-13-20(11-12-23-17)14-18(22)21-9-3-1-2-4-10-21/h5-8,17H,1-4,9-14H2/t17-/m0/s1.
What are the key properties of 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone?
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone has a molecular weight of 336.86 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 138994235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).