3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one

C16H24N2OS — CID 82264418

IUPAC3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one
SMILESCCCSc1ccc(C(=O)CCN2CCNCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-2-13-20-15-5-3-14(4-6-15)16(19)7-10-18-11-8-17-9-12-18/h3-6,17H,2,7-13H2,1H3
InChIKeyUCOSVPOPEYFTTA-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.67
Rot. Bonds7

About 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one

3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one (PubChem CID 82264418) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one
PubChem CID82264418
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one
SMILESCCCSc1ccc(C(=O)CCN2CCNCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-2-13-20-15-5-3-14(4-6-15)16(19)7-10-18-11-8-17-9-12-18/h3-6,17H,2,7-13H2,1H3
InChIKeyUCOSVPOPEYFTTA-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 24843954
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
1-piperazin-1-yl-4-(4-propylsulfanylphenyl)butan-1-one
CID 83935718
piperidin-4-yl-(4-propylsulfanylphenyl)methanone
CID 82553748
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 3056784
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one?
The IUPAC name of 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one (CID 82264418) is 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one?
The canonical SMILES for 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one is CCCSc1ccc(C(=O)CCN2CCNCC2)cc1.
What is the InChIKey of 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one?
The InChIKey is UCOSVPOPEYFTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-13-20-15-5-3-14(4-6-15)16(19)7-10-18-11-8-17-9-12-18/h3-6,17H,2,7-13H2,1H3.
What are the key properties of 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one?
3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 82264418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).