1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one

C23H25N3O2S — CID 46342504

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CC(c3cccs3)n3cccc3)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-18(27)19-6-8-20(9-7-19)24-12-14-26(15-13-24)23(28)17-21(22-5-4-16-29-22)25-10-2-3-11-25/h2-11,16,21H,12-15,17H2,1H3
InChIKeyFNDBWGMLKLDSTB-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.08
Rot. Bonds6

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one

1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one (PubChem CID 46342504) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
PubChem CID46342504
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CC(c3cccs3)n3cccc3)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-18(27)19-6-8-20(9-7-19)24-12-14-26(15-13-24)23(28)17-21(22-5-4-16-29-22)25-10-2-3-11-25/h2-11,16,21H,12-15,17H2,1H3
InChIKeyFNDBWGMLKLDSTB-UHFFFAOYSA-N
XLogP4.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709137
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342867
(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
CID 92708934
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 9089198
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709038
(3R)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709117
(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709861
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanoate
CID 134069467

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one (CID 46342504) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one is CC(=O)c1ccc(N2CCN(C(=O)CC(c3cccs3)n3cccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
The InChIKey is FNDBWGMLKLDSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-18(27)19-6-8-20(9-7-19)24-12-14-26(15-13-24)23(28)17-21(22-5-4-16-29-22)25-10-2-3-11-25/h2-11,16,21H,12-15,17H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one has a molecular weight of 407.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 46342504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).