4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one

C16H20ClN3O3 — CID 136538299

IUPAC4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C(CN1CCOCC1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-13-2-1-3-14(10-13)18-4-6-19(7-5-18)15(21)11-20-8-9-23-12-16(20)22/h1-3,10H,4-9,11-12H2
InChIKeyHWMJQVSMNXCCMF-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one

4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one (PubChem CID 136538299) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
PubChem CID136538299
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C(CN1CCOCC1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-13-2-1-3-14(10-13)18-4-6-19(7-5-18)15(21)11-20-8-9-23-12-16(20)22/h1-3,10H,4-9,11-12H2
InChIKeyHWMJQVSMNXCCMF-UHFFFAOYSA-N
XLogP0.85
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione
CID 121448939
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003218
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56504292
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201858
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2,6-dichlorophenyl)methylsulfanyl]ethanone
CID 126180006

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
The IUPAC name of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one (CID 136538299) is 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one is O=C(CN1CCOCC1=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
The InChIKey is HWMJQVSMNXCCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-13-2-1-3-14(10-13)18-4-6-19(7-5-18)15(21)11-20-8-9-23-12-16(20)22/h1-3,10H,4-9,11-12H2.
What are the key properties of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one has a molecular weight of 337.81 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one is sourced from PubChem (CID 136538299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).