(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone

C23H27N3OS — CID 3225183

IUPAC(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H27N3OS/c27-23(25-13-11-24(12-14-25)19-8-4-5-9-19)21-16-22-20(10-15-28-22)26(21)17-18-6-2-1-3-7-18/h1-3,6-7,10,15-16,19H,4-5,8-9,11-14,17H2
InChIKeyLPQCEEQVCOVPJT-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.45
Rot. Bonds4

About (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone

(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 3225183) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID3225183
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H27N3OS/c27-23(25-13-11-24(12-14-25)19-8-4-5-9-19)21-16-22-20(10-15-28-22)26(21)17-18-6-2-1-3-7-18/h1-3,6-7,10,15-16,19H,4-5,8-9,11-14,17H2
InChIKeyLPQCEEQVCOVPJT-UHFFFAOYSA-N
XLogP4.45
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-4-ium-1-yl)-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 7437557
(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 3225159
(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
1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone
CID 1428087
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038954
ethyl 1-[4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038973
[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-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
[1-[4-(cyclohexylmethyl)thieno[3,2-b]pyrrole-5-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 67053657
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038957

Frequently Asked Questions

What is the IUPAC name of (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone (CID 3225183) is (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone is O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is LPQCEEQVCOVPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c27-23(25-13-11-24(12-14-25)19-8-4-5-9-19)21-16-22-20(10-15-28-22)26(21)17-18-6-2-1-3-7-18/h1-3,6-7,10,15-16,19H,4-5,8-9,11-14,17H2.
What are the key properties of (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 393.56 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 3225183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).