2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C20H30ClN3O2 — CID 17394355

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCc1ccc(Cl)cc1N1CCN(C(C)C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C20H30ClN3O2/c1-14-5-6-18(21)11-19(14)23-9-7-22(8-10-23)17(4)20(25)24-12-15(2)26-16(3)13-24/h5-6,11,15-17H,7-10,12-13H2,1-4H3
InChIKeyYDYXVCGLRIZPBF-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.79
Rot. Bonds3

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 17394355) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID17394355
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCc1ccc(Cl)cc1N1CCN(C(C)C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C20H30ClN3O2/c1-14-5-6-18(21)11-19(14)23-9-7-22(8-10-23)17(4)20(25)24-12-15(2)26-16(3)13-24/h5-6,11,15-17H,7-10,12-13H2,1-4H3
InChIKeyYDYXVCGLRIZPBF-UHFFFAOYSA-N
XLogP2.79
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one with MolForge

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Related Compounds

(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
CID 8591101
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9116613
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25407982
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
(2S)-2-(4-chloro-2-methylphenoxy)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 7346685
2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 2970851
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
(2R)-2-(4-chlorophenyl)sulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 27210102
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 134062689
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 45351379
(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 17394355) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is Cc1ccc(Cl)cc1N1CCN(C(C)C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is YDYXVCGLRIZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-14-5-6-18(21)11-19(14)23-9-7-22(8-10-23)17(4)20(25)24-12-15(2)26-16(3)13-24/h5-6,11,15-17H,7-10,12-13H2,1-4H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 379.93 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 17394355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).