1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one

C17H26N2O3S — CID 110398563

IUPAC1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one
SMILESCCCS(=O)(=O)N1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-15-23(21,22)19-13-11-18(12-14-19)10-6-9-17(20)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyGFVNNVAMXJJFNU-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.01
Rot. Bonds8

About 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one

1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one (PubChem CID 110398563) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one
PubChem CID110398563
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one
SMILESCCCS(=O)(=O)N1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-15-23(21,22)19-13-11-18(12-14-19)10-6-9-17(20)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyGFVNNVAMXJJFNU-UHFFFAOYSA-N
XLogP2.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylbutan-1-one
CID 110398574
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
CID 110413794
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
tert-butyl 2-oxo-5-(4-propylsulfonylpiperazin-1-yl)pentanoate
CID 141154591
1-(4-propan-2-ylphenyl)-2-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110366862
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
4-ethylsulfonyl-1-phenylbutan-1-one
CID 61057259
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one (CID 110398563) is 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one is CCCS(=O)(=O)N1CCN(CCCC(=O)c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one?
The InChIKey is GFVNNVAMXJJFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-15-23(21,22)19-13-11-18(12-14-19)10-6-9-17(20)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3.
What are the key properties of 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one?
1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one has a molecular weight of 338.47 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 110398563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).