1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone

C22H27N3O2 — CID 20729332

IUPAC1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3ccc(N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-18(26)19-2-4-20(5-3-19)23-10-12-24(13-11-23)21-6-8-22(9-7-21)25-14-16-27-17-15-25/h2-9H,10-17H2,1H3
InChIKeyMHMGBUAXKUSJTN-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 20729332) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
PubChem CID20729332
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3ccc(N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-18(26)19-2-4-20(5-3-19)23-10-12-24(13-11-23)21-6-8-22(9-7-21)25-14-16-27-17-15-25/h2-9H,10-17H2,1H3
InChIKeyMHMGBUAXKUSJTN-UHFFFAOYSA-N
XLogP3.05
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
1-(4-acetylphenyl)-3-(4-morpholin-4-ylphenyl)thiourea chloride
CID 53351041
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
(2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylpropan-1-one
CID 2574183
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone (CID 20729332) is 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(c3ccc(N4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is MHMGBUAXKUSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18(26)19-2-4-20(5-3-19)23-10-12-24(13-11-23)21-6-8-22(9-7-21)25-14-16-27-17-15-25/h2-9H,10-17H2,1H3.
What are the key properties of 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 365.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 20729332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).