3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one

C21H22N2OS — CID 11792177

IUPAC3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one
SMILESO=C(CCN1CCN(c2cccc3ccccc23)CC1)c1ccsc1
InChIInChI=1S/C21H22N2OS/c24-21(18-9-15-25-16-18)8-10-22-11-13-23(14-12-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,9,15-16H,8,10-14H2
InChIKeyAEEDQVJYSPEPSO-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.30
Rot. Bonds5

About 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one

3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one (PubChem CID 11792177) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one
PubChem CID11792177
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one
SMILESO=C(CCN1CCN(c2cccc3ccccc23)CC1)c1ccsc1
InChIInChI=1S/C21H22N2OS/c24-21(18-9-15-25-16-18)8-10-22-11-13-23(14-12-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,9,15-16H,8,10-14H2
InChIKeyAEEDQVJYSPEPSO-UHFFFAOYSA-N
XLogP4.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one (CID 11792177) is 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one is O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1ccsc1.
What is the InChIKey of 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one?
The InChIKey is AEEDQVJYSPEPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c24-21(18-9-15-25-16-18)8-10-22-11-13-23(14-12-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,9,15-16H,8,10-14H2.
What are the key properties of 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one?
3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one has a molecular weight of 350.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-1-ylpiperazin-1-yl)-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 11792177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).