1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone

C16H21ClN2O3 — CID 56757034

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN2O3/c17-14-3-1-13(2-4-14)15-11-19(7-10-22-15)16(20)12-18-5-8-21-9-6-18/h1-4,15H,5-12H2
InChIKeyPBMXYRPDFVBAEC-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone (PubChem CID 56757034) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
PubChem CID56757034
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN2O3/c17-14-3-1-13(2-4-14)15-11-19(7-10-22-15)16(20)12-18-5-8-21-9-6-18/h1-4,15H,5-12H2
InChIKeyPBMXYRPDFVBAEC-UHFFFAOYSA-N
XLogP1.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 56862525
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
CID 92969335
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 60558538
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone (CID 56757034) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone?
The InChIKey is PBMXYRPDFVBAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-14-3-1-13(2-4-14)15-11-19(7-10-22-15)16(20)12-18-5-8-21-9-6-18/h1-4,15H,5-12H2.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone?
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone has a molecular weight of 324.81 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 56757034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).