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

C19H28ClN3O2 — CID 4877879

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(c3ccccc3Cl)CC2)CC(C)O1
InChIInChI=1S/C19H28ClN3O2/c1-14-12-23(13-15(2)25-14)19(24)16(3)21-8-10-22(11-9-21)18-7-5-4-6-17(18)20/h4-7,14-16H,8-13H2,1-3H3
InChIKeyQZSPCUHRAOVRIO-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.49
Rot. Bonds3

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

2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 4877879) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID4877879
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(c3ccccc3Cl)CC2)CC(C)O1
InChIInChI=1S/C19H28ClN3O2/c1-14-12-23(13-15(2)25-14)19(24)16(3)21-8-10-22(11-9-21)18-7-5-4-6-17(18)20/h4-7,14-16H,8-13H2,1-3H3
InChIKeyQZSPCUHRAOVRIO-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
1-(3-Chlorophenyl)-4-(methoxyacetyl)piperazine
CID 808459
3-Chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione
CID 796318
[4-(2,4-Dichlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 73671441
1-(2-(4-(3-Chlorophenyl)piperazin-1-yl)acetyl)piperidine (4c)
CID 78782367
1-(3-Chlorophenyl)-4-(ethoxyacetyl)piperazine
CID 2162986
1-(2-Chlorophenyl)-3-(4-morpholinyl)-2,5-pyrrolidinedione
CID 2834471
2-[4-(3-Chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4879872
Isopropyl [4-(4-chlorophenyl)piperazin-1-yl]acetate
CID 5061481
2-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 2867387
(4-(3-Chlorophenyl)piperazin-1-yl)(morpholino)methanone
CID 946901
N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1094960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 4877879) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)N2CCN(c3ccccc3Cl)CC2)CC(C)O1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is QZSPCUHRAOVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14-12-23(13-15(2)25-14)19(24)16(3)21-8-10-22(11-9-21)18-7-5-4-6-17(18)20/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-[4-(2-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-(2-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 4877879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).