1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone

C17H21N3O2S — CID 86911417

IUPAC1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(Cc3cccs3)CC2)n(C)c1
InChIInChI=1S/C17H21N3O2S/c1-13(21)14-10-16(18(2)11-14)17(22)20-7-5-19(6-8-20)12-15-4-3-9-23-15/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyCGLXXRNAIOERFF-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.25
Rot. Bonds4

About 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone

1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone (PubChem CID 86911417) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone
PubChem CID86911417
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(Cc3cccs3)CC2)n(C)c1
InChIInChI=1S/C17H21N3O2S/c1-13(21)14-10-16(18(2)11-14)17(22)20-7-5-19(6-8-20)12-15-4-3-9-23-15/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyCGLXXRNAIOERFF-UHFFFAOYSA-N
XLogP2.25
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone with MolForge

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Related Compounds

(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
(1-methylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35383078
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 70720101
(2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801480
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
N,N-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30507275
1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19623779

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone (CID 86911417) is 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone is CC(=O)c1cc(C(=O)N2CCN(Cc3cccs3)CC2)n(C)c1.
What is the InChIKey of 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone?
The InChIKey is CGLXXRNAIOERFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(21)14-10-16(18(2)11-14)17(22)20-7-5-19(6-8-20)12-15-4-3-9-23-15/h3-4,9-11H,5-8,12H2,1-2H3.
What are the key properties of 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone?
1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 86911417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).