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

C26H25FN2OS — CID 1427980

IUPAC(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
SMILESO=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H25FN2OS/c27-22-8-6-21(7-9-22)18-29-23-12-15-31-25(23)17-24(29)26(30)28-13-10-20(11-14-28)16-19-4-2-1-3-5-19/h1-9,12,15,17,20H,10-11,13-14,16,18H2
InChIKeyJAUVWDBQHDEPSH-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.99
Rot. Bonds5

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

(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone (PubChem CID 1427980) has the molecular formula C26H25FN2OS and a molecular weight of 432.56 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
PubChem CID1427980
Molecular FormulaC26H25FN2OS
Molecular Weight432.56 g/mol
Exact Mass432.17
IUPAC Name(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
SMILESO=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H25FN2OS/c27-22-8-6-21(7-9-22)18-29-23-12-15-31-25(23)17-24(29)26(30)28-13-10-20(11-14-28)16-19-4-2-1-3-5-19/h1-9,12,15,17,20H,10-11,13-14,16,18H2
InChIKeyJAUVWDBQHDEPSH-UHFFFAOYSA-N
XLogP5.99
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 20886047
(4-benzylpiperazin-4-ium-1-yl)-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 7437557
[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]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 7437599
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038954
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 3225147
(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270347
4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877117
[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
CID 70799314
ethyl 1-[4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038973
1-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7249390

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone (CID 1427980) is (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone is O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
The InChIKey is JAUVWDBQHDEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2OS/c27-22-8-6-21(7-9-22)18-29-23-12-15-31-25(23)17-24(29)26(30)28-13-10-20(11-14-28)16-19-4-2-1-3-5-19/h1-9,12,15,17,20H,10-11,13-14,16,18H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone has a molecular weight of 432.56 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone is sourced from PubChem (CID 1427980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).