1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one

C19H22N2OS — CID 977226

IUPAC1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(11-16-23-18-9-5-2-6-10-18)21-14-12-20(13-15-21)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyKUFBMVPASLWIJX-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one

1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one (PubChem CID 977226) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
PubChem CID977226
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(11-16-23-18-9-5-2-6-10-18)21-14-12-20(13-15-21)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyKUFBMVPASLWIJX-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one (CID 977226) is 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one is O=C(CCSc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
The InChIKey is KUFBMVPASLWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(11-16-23-18-9-5-2-6-10-18)21-14-12-20(13-15-21)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one?
1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one has a molecular weight of 326.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 977226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).