[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone

C20H21FN2OS — CID 42848694

IUPAC[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCCCC3)n2Cc2cccc(F)c2)s1
InChIInChI=1S/C20H21FN2OS/c1-14-10-17-19(25-14)12-18(20(24)22-8-3-2-4-9-22)23(17)13-15-6-5-7-16(21)11-15/h5-7,10-12H,2-4,8-9,13H2,1H3
InChIKeyDAGYZOMNLAHDDB-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.82
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone

[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42848694) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
PubChem CID42848694
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCCCC3)n2Cc2cccc(F)c2)s1
InChIInChI=1S/C20H21FN2OS/c1-14-10-17-19(25-14)12-18(20(24)22-8-3-2-4-9-22)23(17)13-15-6-5-7-16(21)11-15/h5-7,10-12H,2-4,8-9,13H2,1H3
InChIKeyDAGYZOMNLAHDDB-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039491
ethyl 1-[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46039602
[2-methyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039472
[2-bromo-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039977
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
ethyl (3R)-1-(4-benzyl-2-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxylate
CID 93327512
ethyl 1-[4-[(4-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46039420
2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
CID 46038790
[2-bromo-4-[(3-chlorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039994
ethyl (3R)-1-[4-[(2,4-difluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 93324567
[4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 46039623
[2-bromo-4-[(4-tert-butylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46040020

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone (CID 42848694) is [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone is Cc1cc2c(cc(C(=O)N3CCCCC3)n2Cc2cccc(F)c2)s1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is DAGYZOMNLAHDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-14-10-17-19(25-14)12-18(20(24)22-8-3-2-4-9-22)23(17)13-15-6-5-7-16(21)11-15/h5-7,10-12H,2-4,8-9,13H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 356.47 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42848694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).