1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone

C20H20N2O2S — CID 1428087

IUPAC1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone
SMILESO=C(Cn1c(C(=O)N2CCCCC2)cc2sccc21)c1ccccc1
InChIInChI=1S/C20H20N2O2S/c23-18(15-7-3-1-4-8-15)14-22-16-9-12-25-19(16)13-17(22)20(24)21-10-5-2-6-11-21/h1,3-4,7-9,12-13H,2,5-6,10-11,14H2
InChIKeyBUDIJMZLMFVKFL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.21
Rot. Bonds4

About 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone

1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone (PubChem CID 1428087) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone
PubChem CID1428087
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone
SMILESO=C(Cn1c(C(=O)N2CCCCC2)cc2sccc21)c1ccccc1
InChIInChI=1S/C20H20N2O2S/c23-18(15-7-3-1-4-8-15)14-22-16-9-12-25-19(16)13-17(22)20(24)21-10-5-2-6-11-21/h1,3-4,7-9,12-13H,2,5-6,10-11,14H2
InChIKeyBUDIJMZLMFVKFL-UHFFFAOYSA-N
XLogP4.21
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 3225183
(4-benzylpiperazin-4-ium-1-yl)-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 7437557
ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438890
(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 3225159
[1-[4-(cyclohexylmethyl)thieno[3,2-b]pyrrole-5-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 67053657
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 3225147
ethyl 1-[4-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038889
4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
CID 39733814
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038957
ethyl 4-[1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 5308985

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone?
The IUPAC name of 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone (CID 1428087) is 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone is O=C(Cn1c(C(=O)N2CCCCC2)cc2sccc21)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone?
The InChIKey is BUDIJMZLMFVKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-18(15-7-3-1-4-8-15)14-22-16-9-12-25-19(16)13-17(22)20(24)21-10-5-2-6-11-21/h1,3-4,7-9,12-13H,2,5-6,10-11,14H2.
What are the key properties of 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone?
1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone is sourced from PubChem (CID 1428087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).