1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone

C21H32N4O5S — CID 30961426

IUPAC1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)N1CCOCC1
InChIInChI=1S/C21H32N4O5S/c26-21(24-8-12-29-13-9-24)18-23-6-4-22(5-7-23)17-19-2-1-3-20(16-19)31(27,28)25-10-14-30-15-11-25/h1-3,16H,4-15,17-18H2
InChIKeyHNQBAPPFVUVGJK-UHFFFAOYSA-N
MW452.58 g/mol
LogP-0.32
Rot. Bonds6

About 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 30961426) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID30961426
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC Name1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)N1CCOCC1
InChIInChI=1S/C21H32N4O5S/c26-21(24-8-12-29-13-9-24)18-23-6-4-22(5-7-23)17-19-2-1-3-20(16-19)31(27,28)25-10-14-30-15-11-25/h1-3,16H,4-15,17-18H2
InChIKeyHNQBAPPFVUVGJK-UHFFFAOYSA-N
XLogP-0.32
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34610722
4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 55578358
7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 45355856
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone (CID 30961426) is 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone is O=C(CN1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is HNQBAPPFVUVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c26-21(24-8-12-29-13-9-24)18-23-6-4-22(5-7-23)17-19-2-1-3-20(16-19)31(27,28)25-10-14-30-15-11-25/h1-3,16H,4-15,17-18H2.
What are the key properties of 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 452.58 g/mol, XLogP of -0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30961426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).