1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide

C20H20FN3O2S — CID 7260864

IUPAC1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C20H20FN3O2S/c21-16-4-2-1-3-15(16)12-24-17(11-14-7-10-27-20(14)24)19(26)23-8-5-13(6-9-23)18(22)25/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,22,25)
InChIKeyFKBBQAPQNUHBOF-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.23
Rot. Bonds4

About 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide

1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 7260864) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
PubChem CID7260864
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C20H20FN3O2S/c21-16-4-2-1-3-15(16)12-24-17(11-14-7-10-27-20(14)24)19(26)23-8-5-13(6-9-23)18(22)25/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,22,25)
InChIKeyFKBBQAPQNUHBOF-UHFFFAOYSA-N
XLogP3.23
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7249390
[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 7297153
1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7216984
(2S)-4-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
CID 93117208
[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 7226748
N-[(2R)-butan-2-yl]-1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 92896329
1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50830856
1-[5-[(2-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carbonyl]piperidine-4-carboxamide
CID 4672355
ethyl 1-[2-bromo-4-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46039856
6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7356221
ethyl 1-[4-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038889
(2-fluorophenyl)-[(2R)-4-[6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazin-1-yl]methanone
CID 93117059

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide (CID 7260864) is 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2F)CC1.
What is the InChIKey of 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is FKBBQAPQNUHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c21-16-4-2-1-3-15(16)12-24-17(11-14-7-10-27-20(14)24)19(26)23-8-5-13(6-9-23)18(22)25/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,22,25).
What are the key properties of 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 7260864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).