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

C19H28ClN3O2 — CID 4879872

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(c3cccc(Cl)c3)CC2)CC(C)O1
InChIInChI=1S/C19H28ClN3O2/c1-14-12-23(13-15(2)25-14)19(24)16(3)21-7-9-22(10-8-21)18-6-4-5-17(20)11-18/h4-6,11,14-16H,7-10,12-13H2,1-3H3
InChIKeySBBJIOXCFKOSDL-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.49
Rot. Bonds3

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 4879872) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID4879872
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(c3cccc(Cl)c3)CC2)CC(C)O1
InChIInChI=1S/C19H28ClN3O2/c1-14-12-23(13-15(2)25-14)19(24)16(3)21-7-9-22(10-8-21)18-6-4-5-17(20)11-18/h4-6,11,14-16H,7-10,12-13H2,1-3H3
InChIKeySBBJIOXCFKOSDL-UHFFFAOYSA-N
XLogP2.49
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-Chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
CID 976980
2-(5-Chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4880691
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
1-(3-Chlorophenyl)-4-(methoxyacetyl)piperazine
CID 808459
1-(3-Chlorophenyl)-3-(morpholin-4-yl)pyrrolidine-2,5-dione
CID 2827714
1-(2-(4-(3-Chlorophenyl)piperazin-1-yl)acetyl)piperidine (4c)
CID 78782367
1-(3-Chlorophenyl)-4-(ethoxyacetyl)piperazine
CID 2162986
2-[4-(2-Chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4877879
Isopropyl [4-(4-chlorophenyl)piperazin-1-yl]acetate
CID 5061481
2-[(6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]-N,N-diethylacetamide
CID 16810505
N-(3-{3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidinyl}-3-oxopropyl)acetamide
CID 23723547
1-(2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-piperidinyl}-2-oxoethyl)-2-pyrrolidinone
CID 24817243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 4879872) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)N2CCN(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)propan-1-one?
The InChIKey is SBBJIOXCFKOSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14-12-23(13-15(2)25-14)19(24)16(3)21-7-9-22(10-8-21)18-6-4-5-17(20)11-18/h4-6,11,14-16H,7-10,12-13H2,1-3H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 365.91 g/mol, XLogP of 2.49, 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)propan-1-one is sourced from PubChem (CID 4879872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).