2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C23H24N2O2S — CID 9180756

IUPAC2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1ccccc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C23H24N2O2S/c26-23(25-13-11-24(12-14-25)16-19-10-15-28-18-19)17-27-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2
InChIKeyBVHLIUZHFNLVPD-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.14
Rot. Bonds6

About 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 9180756) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID9180756
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1ccccc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C23H24N2O2S/c26-23(25-13-11-24(12-14-25)16-19-10-15-28-18-19)17-27-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2
InChIKeyBVHLIUZHFNLVPD-UHFFFAOYSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 9180755
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86877812
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180941
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
2-(3-methylazetidin-3-yl)oxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 102611807
2-(2-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463139
2-(2-methoxyphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30086333
2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 24643451
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 9180756) is 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1-c1ccccc1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is BVHLIUZHFNLVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c26-23(25-13-11-24(12-14-25)16-19-10-15-28-18-19)17-27-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2.
What are the key properties of 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 392.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9180756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).