3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H27N3O5S — CID 46479984

IUPAC3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-25-16-2-4-17(5-3-16)27(23,24)21-10-8-19(9-11-21)7-6-18(22)20-12-14-26-15-13-20/h2-5H,6-15H2,1H3
InChIKeyPDBWXNBXCYGVDW-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.25
Rot. Bonds6

About 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 46479984) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID46479984
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-25-16-2-4-17(5-3-16)27(23,24)21-10-8-19(9-11-21)7-6-18(22)20-12-14-26-15-13-20/h2-5H,6-15H2,1H3
InChIKeyPDBWXNBXCYGVDW-UHFFFAOYSA-N
XLogP0.25
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422712
(5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 31939946
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one
CID 9496484
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 42908172
3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567472
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 8924595
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 4815524
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 46479984) is 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one is COc1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PDBWXNBXCYGVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-25-16-2-4-17(5-3-16)27(23,24)21-10-8-19(9-11-21)7-6-18(22)20-12-14-26-15-13-20/h2-5H,6-15H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 397.50 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 46479984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).