[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C20H21FN2OS — CID 7437599

IUPAC[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2OS/c1-14-4-2-3-10-22(14)20(24)18-12-19-17(9-11-25-19)23(18)13-15-5-7-16(21)8-6-15/h5-9,11-12,14H,2-4,10,13H2,1H3/t14-/m1/s1
InChIKeyZUDVLCWHSCYNBQ-CQSZACIVSA-N
MW356.47 g/mol
LogP4.90
Rot. Bonds3

About [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 7437599) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID7437599
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2OS/c1-14-4-2-3-10-22(14)20(24)18-12-19-17(9-11-25-19)23(18)13-15-5-7-16(21)8-6-15/h5-9,11-12,14H,2-4,10,13H2,1H3/t14-/m1/s1
InChIKeyZUDVLCWHSCYNBQ-CQSZACIVSA-N
XLogP4.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 6487113
[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 3225351
4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877117
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
N-(3-chloro-2-methylphenyl)-1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 20886047
N-[3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propyl]-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437617
(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 3225183
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225394
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038954
4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039244
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038957
4-[(4-tert-butylphenyl)methyl]-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848585

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 7437599) is [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is ZUDVLCWHSCYNBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-14-4-2-3-10-22(14)20(24)18-12-19-17(9-11-25-19)23(18)13-15-5-7-16(21)8-6-15/h5-9,11-12,14H,2-4,10,13H2,1H3/t14-/m1/s1.
What are the key properties of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 7437599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).