2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C18H26ClN3O2 — CID 78782366

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)CC(C)O1
InChIInChI=1S/C18H26ClN3O2/c1-14-11-22(12-15(2)24-14)18(23)13-20-6-8-21(9-7-20)17-5-3-4-16(19)10-17/h3-5,10,14-15H,6-9,11-13H2,1-2H3
InChIKeyZYLDDRVNHYLXFR-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 78782366) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID78782366
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)CC(C)O1
InChIInChI=1S/C18H26ClN3O2/c1-14-11-22(12-15(2)24-14)18(23)13-20-6-8-21(9-7-20)17-5-3-4-16(19)10-17/h3-5,10,14-15H,6-9,11-13H2,1-2H3
InChIKeyZYLDDRVNHYLXFR-UHFFFAOYSA-N
XLogP2.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171996432
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003218
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 90507580
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 78782366) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)CC(C)O1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is ZYLDDRVNHYLXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-14-11-22(12-15(2)24-14)18(23)13-20-6-8-21(9-7-20)17-5-3-4-16(19)10-17/h3-5,10,14-15H,6-9,11-13H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 351.88 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 78782366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).